SCHEMBL3711045

SCHEMBL3711045

CC(C)CN1CCCC[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACE P12821 6/20 0.44
REN P00797 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
PEPD P12955 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
HRH1 P35367 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL3711047 1.00 CNR1 (0.47) CNR1CNR2RAB9ASMN1; SMN2ACE
SCHEMBL3138576 0.95 RAB9A (0.51) CNR1CNR2RAB9AACEREN
SCHEMBL1955445 0.95 RAB9A (0.51) CNR1CNR2RAB9AACEREN
SCHEMBL3138588 0.95 RAB9A (0.51) CNR1CNR2RAB9AACEREN
SCHEMBL5701940 0.87 RAB9A (0.42) CNR1CNR2RAB9AACEREN
SCHEMBL11543098 0.87 RAB9A (0.42) CNR1CNR2RAB9AACEREN
SCHEMBL5702070 0.87 RAB9A (0.42) CNR1CNR2RAB9AACEREN
SCHEMBL25664005 0.86 CNR1 (0.50) CNR1CNR2RAB9ASMN1; SMN2ACE
SCHEMBL25664006 0.86 CNR1 (0.50) CNR1CNR2RAB9ASMN1; SMN2ACE
SCHEMBL4597804 0.84 CNR1 (0.46) CNR1CNR2RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
US-11578054-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-14 US disclosed
US-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof SHANGHAI MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-12-16 US disclosed
US-20210094932-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2021-04-01 US disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-7109215-B2 Compounds possessing neuronal activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-09-19 US disclosed
US-20020013351-A1 Compounds possessing neuronal activity VERTEX PHARMACEUTICALS INCORPORATED 2002-01-31 US disclosed
US-6268384-B1 DO NOT BIND TO FKBP, AND WHICH DO NOT HAVE MULTI-DRUG RESISTANCE REVERSAL ACTIVITY. VERTEX PHARMACEUTICALS INCORPORATED 2001-07-31 US disclosed
CN-1271354-A Compounds possessing neuronal activity VERTEX PHARMA (US) 2000-10-25 CN disclosed
EP-1007521-A1 COMPOUNDS POSSESSING NEURONAL ACTIVITY Vertex Pharmaceuticals Incorporated (US) 2000-06-14 EP disclosed
WO-1999010340-A1 COMPOUNDS POSSESSING NEURONAL ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-03-04 WO 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 (5 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-20210094932-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 CNR1 2640/4885CNR2 2213/4885RAB9A 1942/4885
US-11578054-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 CNR1 2640/4885CNR2 2213/4885RAB9A 1942/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR1 2/4885CNR2 1/4885RAB9A 2445/4885
US-20020013351-A1 Compounds possessing neuronal activity BDNF, NGF, GAP43 CNR1 1539/4885CNR2 1776/4885RAB9A 1272/4885
US-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof CD274, PDCD1LG2, PDCD1 CNR1 2667/4885CNR2 3368/4885RAB9A 3283/4885

“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.