SCHEMBL14924375

SCHEMBL14924375

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.46
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MET P08581 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL29731850 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL29741983 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL14925849 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL30512281 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL22802474 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL29741999 0.87 MAPT (0.47) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL14924381 0.87 MAPT (0.47) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL30578916 0.87 MAPT (0.47) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL27965768 0.87 MAPT (0.47) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL28855389 0.86 GPR119 (0.48) GPR119MAPTLMNAALDH1A1SMARCA2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752499-B1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INT (DE) 2024-03-27 EP disclosed
CN-111770918-B Inhibitors of TRPC6 勃林格殷格翰国际公司 2024-02-27 CN disclosed
US-11485740-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-11-01 US disclosed
US-20200399282-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-24 US disclosed
CN-111770918-A Inhibitors of TRPC6 勃林格殷格翰国际公司 2020-10-13 CN disclosed
CN-107011348-B Heteroaryl pyridone and aza-pyridone compounds as inhibitors of BTK activity 霍夫曼-拉罗奇有限公司 2020-01-10 CN disclosed
WO-2019158572-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
EP-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 US disclosed
US-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 US disclosed
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2015-04-02 US disclosed
US-8946213-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-02-03 US disclosed
US-8946213-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-02-03 US disclosed
CN-104125959-A Heteroaryl pyridone and aza-pyridone compounds as inhibitors of BTK activity HOFFMANN LA ROCHE 2014-10-29 CN disclosed
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2014-08-07 US disclosed
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2014-08-07 US disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 US disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 US disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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 (5 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-20200399282-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 GPR119 61/4885MAPT 1780/4885LMNA 724/4885
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK GPR119 2675/4885MAPT 2501/4885LMNA 2885/4885
US-11485740-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 GPR119 61/4885MAPT 1780/4885LMNA 724/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK GPR119 2141/4885MAPT 1919/4885LMNA 3577/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK GPR119 2675/4885MAPT 2501/4885LMNA 2885/4885

“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.