SCHEMBL611802

SCHEMBL611802

Nc1ccc(C2CCN(C(=O)O)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.40
SCD O00767 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
GABRP O00591 1/20 0.39

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
SCHEMBL28143370 0.93 KDM4E (0.44) TRPC6SMN1; SMN2HTTL3MBTL1KDM4E
SCHEMBL30783142 0.91 TRPC6 (0.52) TRPC6SMN1; SMN2HTTL3MBTL1KDM4E
SCHEMBL609605 0.91 TRPC6 (0.52) TRPC6SMN1; SMN2HTTL3MBTL1KDM4E
SCHEMBL27676281 0.89 TRPC6 (0.48) TRPC6SMN1; SMN2HTTL3MBTL1KDM4E
SCHEMBL159379 0.88 GABRP (0.43) TRPC6SMN1; SMN2HTTL3MBTL1KDM4E
SCHEMBL2027017 0.83 RAB9A (0.50) SMN1; SMN2HTTL3MBTL1RAB9ANPC1
SCHEMBL15577442 0.83 RAB9A (0.50) SMN1; SMN2HTTL3MBTL1RAB9ANPC1
SCHEMBL608705 0.81 QDPR (0.55) TRPC6TNKS
SCHEMBL21821523 0.81 TRPC6 (0.49) TRPC6
SCHEMBL29743593 0.81 PDE4B (0.53) TRPC6TP53MAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263525-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS Prelude Therapeutics, Incorporated (US) 2023-10-25 EP disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
WO-2022133215-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2022-06-23 WO disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (7 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TRPC6 573/4885SMN1; SMN2 1965/4885HTT 1148/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TRPC6 573/4885SMN1; SMN2 1965/4885HTT 1148/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TRPC6 573/4885SMN1; SMN2 1965/4885HTT 1148/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN TRPC6 3233/4885SMN1; SMN2 4068/4885HTT 4501/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R TRPC6 573/4885SMN1; SMN2 1965/4885HTT 1148/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R TRPC6 573/4885SMN1; SMN2 1965/4885HTT 1148/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN TRPC6 3233/4885SMN1; SMN2 4068/4885HTT 4501/4885

“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.