SCHEMBL3000962

SCHEMBL3000962

O=C(NC1CC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
LMNA P02545 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
FAAH O00519 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
PPARG P37231 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TBXA2R P21731 2/20 0.38
F10 P00742 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
EGLN1 Q9GZT9 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
SCHEMBL3005482 0.96 CNR2 (0.42) CNR2UBE2MDCUN1D1FAAHKMT2A
SCHEMBL3006187 0.96 CNR2 (0.41) CNR2LMNAUBE2MDCUN1D1FAAH
SCHEMBL3008931 0.95 POLB (0.44) CNR2UBE2MDCUN1D1FAAHKMT2A
SCHEMBL4386783 0.94 FAAH (0.46) CNR2LMNAUBE2MDCUN1D1FAAH
SCHEMBL3001499 0.93 S1PR3 (0.42) CNR2LMNAUBE2MDCUN1D1FAAH
SCHEMBL2999872 0.92 FAAH (0.47) CNR2LMNAUBE2MDCUN1D1FAAH
SCHEMBL4391954 0.91 FAAH (0.45) CNR2FAAHMEN1KMT2A
SCHEMBL3007213 0.90 TP53 (0.44) LMNAUBE2MDCUN1D1MEN1CYP3A4
SCHEMBL2992995 0.90 PLA2G2A (0.51) LMNAFAAHMEN1CYP3A4MAPT
SCHEMBL2996457 0.89 S1PR3 (0.44) CNR2LMNAUBE2MDCUN1D1MEN1

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 20/4885LMNA 3450/4885UBE2M 2562/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 CNR2 3/4885LMNA 4089/4885UBE2M 2236/4885

“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.