SCHEMBL1325867

SCHEMBL1325867

C[C@H](O)CNCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2D6 P10635 1/20 0.77
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ANPEP P15144 1/20 0.51
DNM1 Q05193 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCHE P06276 3/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
MAOA P21397 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4530301 1.00 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL1849659 1.00 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
Hydrochloric Acid SCHEMBL4676912 0.98 ALDH1A1 (0.80) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
Hydrochloric Acid SCHEMBL6993232 0.98 ALDH1A1 (0.80) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL30995662 0.91 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL725878 0.89 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP2D6KMT2AANPEP
SCHEMBL15087836 0.89 ALDH1A1 (0.97) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL15090295 0.89 ALDH1A1 (0.97) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL6262911 0.86 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2D6KMT2ADNM1
SCHEMBL15325585 0.85 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727591-A1 SMARCA2 DEGRADERS AND USES THEREOF Astrazeneca AB (SE) 2026-04-22 EP disclosed
WO-2025098445-A1 PARG INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 南京同诺康医药科技有限公司 2025-05-15 WO disclosed
WO-2024256988-A1 SMARCA2 DEGRADERS AND USES THEREOF ASTRAZENECA AB (SE) 2024-12-19 WO disclosed
WO-2024173514-A1 AMIDE AND ESTER-SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2024-08-22 WO disclosed
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-9636337-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
WO-2016119707-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LIMITED (CN) 2016-08-04 WO disclosed
WO-2016119707-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LIMITED (CN) 2016-08-04 WO disclosed
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 US disclosed
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 US disclosed
US-20060264450-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2006-11-23 US disclosed
EP-1641767-A2 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME Boehringer Ingelheim International GmbH (DE) 2006-04-05 EP disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2004108664-A2 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-16 WO disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 WO 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-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 ALDH1A1 1923/4885CYP1A2 633/4885CYP2D6 1219/4885
US-20060264450-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 ALDH1A1 1923/4885CYP1A2 633/4885CYP2D6 1219/4885
US-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 ALDH1A1 4/4885CYP1A2 14/4885CYP2D6 42/4885
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B ALDH1A1 4241/4885CYP1A2 858/4885CYP2D6 2310/4885
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B ALDH1A1 4241/4885CYP1A2 858/4885CYP2D6 2310/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 ALDH1A1 4/4885CYP1A2 14/4885CYP2D6 42/4885

“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.