SCHEMBL3005482

SCHEMBL3005482

O=C(NC1CCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
EPHX1 P07099 2/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
GAA P10253 1/20 0.39
TBXA2R P21731 2/20 0.38
CNR1 P21554 2/20 0.38
KMT2A Q03164 1/20 0.38
MDM2 Q00987 1/20 0.38
FAAH O00519 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
SCHEMBL3008931 0.99 POLB (0.44) CNR2POLBTP53EPHX1UBE2M
SCHEMBL3006187 0.98 CNR2 (0.41) CNR2POLBTP53EPHX1UBE2M
SCHEMBL3000962 0.96 CNR2 (0.41) CNR2UBE2MDCUN1D1TBXA2RKMT2A
SCHEMBL4391954 0.95 FAAH (0.45) CNR2POLBTP53GAACNR1
SCHEMBL2996457 0.93 S1PR3 (0.44) CNR2POLBTP53EPHX1UBE2M
SCHEMBL3005859 0.93 S1PR3 (0.44) CNR2POLBTP53EPHX1UBE2M
SCHEMBL3005497 0.93 FAAH (0.46) CNR2POLBTP53CNR1KMT2A
SCHEMBL3006611 0.92 FAAH (0.46) CNR2POLBTP53EPHX1CNR1
SCHEMBL3010320 0.92 S1PR3 (0.42) POLBTP53EPHX1UBE2MDCUN1D1
SCHEMBL4386783 0.91 FAAH (0.46) CNR2TP53UBE2MDCUN1D1KMT2A

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-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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 (2 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 CNR2 20/4885POLB 4404/4885TP53 2579/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 CNR2 3/4885POLB 4121/4885TP53 4734/4885

“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.