SCHEMBL3223048

SCHEMBL3223048

O=C(OCc1ccccc1)N1CCCC2(CO2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C19 P33261 2/20 0.48
ENPP2 Q13822 1/20 0.46
ATXN2 Q99700 1/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRIN2B Q13224 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
RORC P51449 2/20 0.44

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
SCHEMBL541558 0.92 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15958471 0.91 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15399361 0.91 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15958466 0.91 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1488932 0.86 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL541133 0.84 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL18132077 0.84 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25373086 0.83 KMT2A (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30542404 0.83 KMT2A (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30542372 0.83 KMT2A (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317759-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO LTD (JP) 2024-09-26 US disclosed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY KO SOO S 2007-12-27 US disclosed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 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 (3 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-20240317759-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS KRAS, NRAS, HRAS MEN1 290/4885KMT2A 1975/4885NPSR1 4801/4885
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR3, CCR1, CCR4 MEN1 4702/4885KMT2A 4148/4885NPSR1 270/4885
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 MEN1 3647/4885KMT2A 2574/4885NPSR1 3024/4885

“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.