SCHEMBL3698930

SCHEMBL3698930

O=C(O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.62
CNR2 P34972 1/20 0.62
MAPT P10636 5/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 3/20 0.48

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
SCHEMBL3703692 1.00 CNR1 (0.62) CNR1CNR2MAPTCYP2C9CYP2C19
SCHEMBL3783905 0.96 CNR1 (0.58) CNR1CNR2MAPTCYP2C9CYP2C19
SCHEMBL2123422 0.93 MAPT (0.56) CNR1CNR2MAPTCYP2C9CYP2C19
SCHEMBL2123425 0.93 MAPT (0.56) CNR1CNR2MAPTCYP2C9CYP2C19
SCHEMBL13257030 0.86 CNR1 (0.57) CNR1CNR2MAPTCYP2C9CYP2C19
SCHEMBL3788733 0.85 SMN1; SMN2 (0.53) CNR1CNR2MAPTCYP2C9CYP2C19
SCHEMBL9107822 0.83 SMN1; SMN2 (0.47) CNR1CNR2MAPTCYP2C9CYP2C19
SCHEMBL9107827 0.83 SMN1; SMN2 (0.47) CNR1CNR2MAPTCYP2C9CYP2C19
SCHEMBL13707317 0.82 CNR1 (0.61) CNR1CNR2MAPTCYP2C9CYP2C19
SCHEMBL4542787 0.82 CNR1 (0.61) CNR1CNR2MAPTCYP2C9CYP2C19

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 5 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
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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 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 CNR1 2/4885CNR2 1/4885MAPT 4057/4885

“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.