SCHEMBL1911481

SCHEMBL1911481

CC(C)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CHRM1 P11229 3/20 0.57
CYP2C19 P33261 2/20 0.57
HRH3 Q9Y5N1 3/20 0.54
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.51
CHRM2 P08172 1/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL64760 0.95 CHRM1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5551359 0.92 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.87 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.87 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.87 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.87 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL26093388 0.87 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL26091747 0.86 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.86 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.86 MEN1 (0.73) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2023-07-06 US disclosed
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2023-07-06 US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 US disclosed
WO-2023076983-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. (US) 2023-05-04 WO disclosed
US-20210154188-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-27 US disclosed
WO-2019195278-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2019-10-10 WO disclosed
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-04 US disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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 (8 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC MEN1 1838/4885KMT2A 4257/4885NPSR1 2153/4885
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF FIBP, FN1, TPX2 MEN1 2450/4885KMT2A 3476/4885NPSR1 1376/4885
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR MEN1 771/4885KMT2A 1673/4885NPSR1 45/4885
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 MEN1 2996/4885KMT2A 2872/4885NPSR1 409/4885
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12, HRH4 MEN1 706/4885KMT2A 3093/4885NPSR1 1953/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC MEN1 1838/4885KMT2A 4257/4885NPSR1 2153/4885
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 MEN1 719/4885KMT2A 2331/4885NPSR1 1033/4885
US-20210154188-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF ALK, ALKBH5, ALKBH3 MEN1 2002/4885KMT2A 629/4885NPSR1 3233/4885

“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.