SCHEMBL9891937

SCHEMBL9891937

O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RAB9A P51151 1/20 0.59
KCNQ1 P51787 5/20 0.58
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
ALOX12 P18054 1/20 0.57
MAPK1 P28482 1/20 0.57
ABL1 P00519 2/20 0.55
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CDK3 Q00526 1/20 0.53
GSTO1 P78417 1/20 0.52
KMT2A Q03164 2/20 0.52
CNR2 P34972 3/20 0.52
CNR1 P21554 2/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL9891945 0.95 TRPV1 (0.56) SMN1; SMN2HTTNPSR1RAB9AKCNQ1
SCHEMBL9891970 0.87 CCNE1 (0.53) SMN1; SMN2HTTNPSR1RAB9AKCNQ1
SCHEMBL9891973 0.85 CCNE1 (0.52) SMN1; SMN2HTTNPSR1RAB9AKCNQ1
SCHEMBL9892079 0.83 CCNE1 (0.54) SMN1; SMN2HTTNPSR1KCNQ1LMNA
SCHEMBL9893102 0.83 CNR2 (0.60) SMN1; SMN2HTTNPSR1RAB9AKCNQ1
SCHEMBL9891940 0.80 CNR2 (0.58) SMN1; SMN2HTTNPSR1RAB9AKCNQ1
SCHEMBL6255773 0.79 SMN1; SMN2 (0.70) SMN1; SMN2HTTNPSR1RAB9AKCNQ1
SCHEMBL15689170 0.79 ABL1 (0.74) SMN1; SMN2HTTRAB9ALMNAMAPT
SCHEMBL13285006 0.78 KMT2A (0.57) SMN1; SMN2HTTNPSR1RAB9AKCNQ1
SCHEMBL15688795 0.78 SMN1; SMN2 (0.72) SMN1; SMN2HTTNPSR1RAB9AKCNQ1

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 4 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-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

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 SMN1; SMN2 4659/4885HTT 3335/4885NPSR1 31/4885

“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.