SCHEMBL9891778

SCHEMBL9891778

CC(C)C1CCC(=O)N1c1ccc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
IDH1 O75874 3/20 0.39
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL9891784 0.84 NPC1 (0.42) SMN1; SMN2IDH1TSHRTP53GPR119
SCHEMBL9891779 0.83 HRH3 (0.42) IDH1GPR119CNR2
SCHEMBL9891780 0.81 IDH1 (0.38) IDH1TP53MDM2GPR119NOTUM
SCHEMBL9893029 0.81 GAA (0.44) GAAGPR55SMN1; SMN2ADORA3MAPT
SCHEMBL9891785 0.81 HRH3 (0.44) IDH1MAPTALDH1A1KDM4ENPSR1
SCHEMBL9891781 0.80 CNR1 (0.50) IDH1ALDH1A1GPR119KDM4EPANK3
SCHEMBL9891783 0.80 CNR1 (0.51) GAASMN1; SMN2IDH1MAPTTP53
SCHEMBL9891731 0.78 CNR2 (0.42) MAPTTSHRTP53MDM2ALDH1A1
SCHEMBL9891782 0.77 KDM4E (0.46) SMN1; SMN2IDH1MAPTALDH1A1KDM4E
SCHEMBL9105776 0.75 P2RX7 (0.43) GAAGPR55SMN1; SMN2ADORA3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GAA 4474/4885GPR55 11/4885SMN1; SMN2 4659/4885

“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.