SCHEMBL9108974

SCHEMBL9108974

CC(C)(C)OC(=O)[C@@H]1CCCN1c1ccc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
CNR1 P21554 3/20 0.41
FFAR1 O14842 1/20 0.40
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.40
ROCK2 O75116 1/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SYK P43405 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL9108980 1.00 CNR2 (0.41) CNR2CNR1FFAR1ATRATRIP
SCHEMBL15205977 0.86 CNR2 (0.43) CNR2CNR1ATRATRIPALDH1A1
SCHEMBL15205978 0.86 CNR2 (0.43) CNR2CNR1ATRATRIPALDH1A1
SCHEMBL9107214 0.81 ADRA1A (0.48) CNR2FFAR1LMNATSHRSYK
SCHEMBL28126198 0.75 GPR119 (0.49) ATRATRIPCASP3ROCK2TSHR
SCHEMBL9891840 0.74 CNR2 (0.40) CNR2CNR1FFAR1ALDH1A1MEN1
SCHEMBL9104066 0.74 MCHR1 (0.41) CNR2CNR1ATRATRIPCASP3
SCHEMBL9104076 0.74 MCHR1 (0.41) CNR2CNR1ATRATRIPCASP3
SCHEMBL16824339 0.73 ROCK2 (0.40) ATRATRIPCASP3ROCK2
SCHEMBL1367212 0.73 ROCK2 (0.40) ATRATRIPCASP3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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 (1 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885FFAR1 239/4885

“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.