SCHEMBL9106437

SCHEMBL9106437

O[C@@H]1CCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.60
WDR91 A4D1P6 4/20 0.59
AR P10275 1/20 0.56
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CHIA Q9BZP6 1/20 0.43
AKR1C3 P42330 2/20 0.43
MCHR1 Q99705 1/20 0.41

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
SCHEMBL16695637 1.00 NOTUM (0.60) NOTUMWDR91ARHDAC1HDAC8
SCHEMBL2158833 0.88 NOTUM (0.54) NOTUMWDR91HTR3EHTR3BADRB1
SCHEMBL7543878 0.82 AR (0.50) NOTUMWDR91ARMAPTMEN1
SCHEMBL33623 0.81 AR (0.49) NOTUMWDR91ARMAPTMEN1
SCHEMBL853367 0.81 AR (0.49) NOTUMWDR91ARMAPTMEN1
SCHEMBL1750887 0.81 AR (0.49) NOTUMWDR91ARKMT2AAKR1C3
SCHEMBL1750888 0.81 AR (0.49) NOTUMWDR91ARKMT2AAKR1C3
SCHEMBL15570454 0.81 AR (0.49) NOTUMWDR91ARKMT2AAKR1C3
SCHEMBL6365465 0.81 AR (0.49) NOTUMWDR91ARAKR1C3CDK1
SCHEMBL15323253 0.81 AR (0.49) NOTUMWDR91ARCDK1CDK2

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 NOTUM 2241/4885WDR91 1670/4885AR 903/4885

“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.