SCHEMBL10087580

SCHEMBL10087580

CC(C)N1CCC2CCCCC21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.36
CYP2D6 P10635 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12257626 0.95 DPP7 (0.34) SLC18A3DPP7L3MBTL1
SCHEMBL2603332 0.91 SLC18A3 (0.32) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL13910227 0.91 SLC18A3 (0.32) SLC18A3ALDH1A1
SCHEMBL2603339 0.91 SLC18A3 (0.32) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL2603338 0.91 SLC18A3 (0.32) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL13910189 0.91 SLC18A3 (0.32) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL11947594 0.89 SLC18A3 (0.35) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL13910203 0.89 SLC18A3 (0.35) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL13910193 0.89 SLC18A3 (0.35) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL11947597 0.89 SLC18A3 (0.35) SLC18A3CYP2D6MEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024011155-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-19 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-8703810-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20140107095-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-8569264-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20130137746-A1 INDANE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US disclosed
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-8114856-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS,INC. (US) 2011-07-07 US disclosed
US-7893039-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC SLC18A3 4761/4885CYP2D6 1003/4885MEN1 3404/4885
US-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer ENTPD5, NT5E, ENTPD1 SLC18A3 467/4885CYP2D6 1720/4885MEN1 2222/4885
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC SLC18A3 4761/4885CYP2D6 1003/4885MEN1 3404/4885
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC SLC18A3 4761/4885CYP2D6 1003/4885MEN1 3404/4885
US-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 SLC18A3 2117/4885CYP2D6 836/4885MEN1 4454/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 SLC18A3 895/4885CYP2D6 2230/4885MEN1 3630/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 SLC18A3 895/4885CYP2D6 2230/4885MEN1 3630/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 SLC18A3 950/4885CYP2D6 3373/4885MEN1 4405/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 SLC18A3 950/4885CYP2D6 3373/4885MEN1 4405/4885
US-20140107095-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 SLC18A3 2023/4885CYP2D6 869/4885MEN1 4457/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 SLC18A3 950/4885CYP2D6 3373/4885MEN1 4405/4885
US-20130137746-A1 INDANE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GPER1, ESR2, ESR1 SLC18A3 1199/4885CYP2D6 600/4885MEN1 4079/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 SLC18A3 950/4885CYP2D6 3373/4885MEN1 4405/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 SLC18A3 950/4885CYP2D6 3373/4885MEN1 4405/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.