SCHEMBL3706775

SCHEMBL3706775

Cc1nc(N2C(=O)CCC2C(=O)O)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.37
ACACB O00763 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
P2RX7 Q99572 6/20 0.35
HTR7 P34969 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PHGDH O43175 1/20 0.34
ACE P12821 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL3706772 1.00 POLQ (0.37) POLQACACBCHRM2CHRM1P2RX7
SCHEMBL16480431 0.81 PARP1 (0.40) ACACBCHRM2CHRM1HDAC1HDAC8
SCHEMBL9891786 0.77 ACACB (0.36) ACACB
SCHEMBL3715821 0.77 POLQ (0.38) POLQP2RX7CNR1CNR2HDAC1
SCHEMBL3715822 0.77 POLQ (0.38) POLQP2RX7CNR1CNR2HDAC1
SCHEMBL2571390 0.76 CNR2 (0.41) P2RX7TDP1CNR1CNR2HDAC1
SCHEMBL9107192 0.76 NPC1 (0.44) POLQCNR1CNR2PHGDHACE
SCHEMBL2571392 0.76 CNR2 (0.41) P2RX7TDP1CNR1CNR2HDAC1
SCHEMBL9107658 0.76 NPC1 (0.44) POLQCNR1CNR2PHGDHACE
SCHEMBL9107374 0.75 TSHR (0.42) P2RX7HTR7TDP1CNR1CNR2

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
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

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 POLQ 3314/4885ACACB 1735/4885CHRM2 686/4885

“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.