SCHEMBL3301756

SCHEMBL3301756

CCn1c(=O)n(C(=O)O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HTR3A P46098 1/20 0.51
HTR4 Q13639 1/20 0.51
APEX1 P27695 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
PGR P06401 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6582840 0.84 TMEM97 (0.53) TMEM97SIGMAR1HTR3AHTR4MEN1
SCHEMBL6588314 0.84 TMEM97 (0.50) TMEM97SIGMAR1HTR3AHTR4APEX1
SCHEMBL8947427 0.83 KDM4E (0.54) MEN1KMT2APGRALDH1A1
SCHEMBL2267441 0.81 KDM4E (0.47) APEX1MEN1KMT2AGAAALDH1A1
SCHEMBL4621924 0.80 ALDH1A1 (0.59) APEX1MEN1KMT2AGAAPGR
SCHEMBL7645474 0.80 APEX1 (0.48) APEX1GAA
SCHEMBL6948825 0.80 MEN1 (0.46) TMEM97SIGMAR1HTR3AHTR4APEX1
SCHEMBL5329443 0.79 APEX1 (0.82) APEX1MEN1KMT2AGAAALDH1A1
SCHEMBL28357637 0.78 MEN1 (0.51) TMEM97SIGMAR1HTR3AHTR4MEN1
SCHEMBL28357639 0.77 KDM4E (0.39) TMEM97SIGMAR1HTR3AHTR4APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552408-A Benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-03 US claimed
US-5358954-A Antiserotonine agent, antiemetic, gastrointestinal disorders BOEHRINGER INGELHEIM ITALIA (IT) 1994-10-25 US claimed
US-5223511-A Benzimidazoline-2-oxo-1-carboxylic acid compounds useful as 5-HT receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-06-29 US claimed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN disclosed
US-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2019-03-28 US disclosed
US-10144709-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2018-12-04 US disclosed
US-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2017-09-28 US disclosed
US-9676718-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-06-13 US disclosed
US-9593102-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-03-14 US disclosed
US-20160362374-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2016-12-15 US disclosed
US-20140135314-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-15 US disclosed
WO-2010044585-A2 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK HOLDINGS CO., LTD. (KR) 2010-04-22 WO disclosed
US-20100093801-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK HOLDINGS CO., LTD. (KR) 2010-04-15 US disclosed
EP-0815080-B1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-06-16 EP disclosed
US-6002009-A Di-substituted 1,4-piperidine esters and amides having 5-HT4 antagonistic activity BOEHRINGER INGELHEIM ITALIA, S.P.A. (IT) 1999-12-14 US disclosed
EP-0815080-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT 4? ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1998-01-07 EP disclosed
WO-1996028424-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-19 WO disclosed
US-5552408-A Benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-03 US disclosed
US-5358954-A Antiserotonine agent, antiemetic, gastrointestinal disorders BOEHRINGER INGELHEIM ITALIA (IT) 1994-10-25 US disclosed
US-5223511-A Benzimidazoline-2-oxo-1-carboxylic acid compounds useful as 5-HT receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-06-29 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 (6 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-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO TMEM97 1865/4885SIGMAR1 918/4885HTR3A 893/4885
US-10144709-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use PGC, VIP, PIGO TMEM97 1865/4885SIGMAR1 918/4885HTR3A 893/4885
US-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use PGC, VIP, PIGO TMEM97 1865/4885SIGMAR1 918/4885HTR3A 893/4885
US-20160362374-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO TMEM97 1865/4885SIGMAR1 918/4885HTR3A 893/4885
US-20100093801-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO TMEM97 1865/4885SIGMAR1 918/4885HTR3A 893/4885
US-20140135314-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO TMEM97 1865/4885SIGMAR1 918/4885HTR3A 893/4885

“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.