SCHEMBL9103503

SCHEMBL9103503

N#Cc1ccc(N2C(=O)CCC2C(=O)O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.40
TSHR P16473 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
CNR2 P34972 1/20 0.39
AR P10275 5/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC5 Q9UQL6 1/20 0.38
CHRM4 P08173 1/20 0.38
P2RX7 Q99572 1/20 0.38
USP14 P54578 1/20 0.37
PHGDH O43175 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 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
SCHEMBL9103496 1.00 NR3C2 (0.40) NR3C2TSHRPDE4BPDE4DCNR2
SCHEMBL9106736 0.85 TSHR (0.52) TSHRCNR2HDAC1HDAC8HDAC6
SCHEMBL9106744 0.85 TSHR (0.52) TSHRCNR2HDAC1HDAC8HDAC6
SCHEMBL17251724 0.84 AR (0.54) AR
SCHEMBL9108825 0.81 P2RX7 (0.47) TSHRCNR2HDAC1HDAC8HDAC6
SCHEMBL9109215 0.81 CCR1 (0.47) TSHRCNR2HDAC1HDAC8HDAC6
SCHEMBL13285326 0.81 TSHR (0.45) TSHRCNR2HDAC1HDAC8HDAC6
SCHEMBL16480397 0.81 AR (0.43) ARCHRM2CHRM5CHRM1
SCHEMBL9109207 0.81 CCR1 (0.47) TSHRCNR2HDAC1HDAC8HDAC6
SCHEMBL9108816 0.81 P2RX7 (0.47) TSHRCNR2HDAC1HDAC8HDAC6

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 3 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

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 NR3C2 784/4885TSHR 1003/4885PDE4B 757/4885

“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.