SCHEMBL9941742

SCHEMBL9941742

CCOC(=O)c1cc2n(n1)CCN(Cc1ccc(OC)cc1)C2=O

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.82
SMN1; SMN2 Q16637 3/20 0.82
CYP1A2 P05177 2/20 0.82
CYP2C19 P33261 2/20 0.82
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
PKM P14618 1/20 0.66
CYP2C9 P11712 1/20 0.53
LMNA P02545 5/20 0.51
TP53 P04637 4/20 0.51
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL29256111 0.92 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL2526216 0.88 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL4494006 0.87 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL18183854 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL2521926 0.84 SMN1; SMN2 (0.80) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL24687925 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL29256112 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL9938533 0.79 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL9941025 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL24687614 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1

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
US-20250270223-A1 CRYSTAL OF SUBSTITUTED PIPERAZINE DERIVATIVE AND PREPARATION METHOD THEREFOR Kangbaida (Sichuan) Biotechnology Co., Ltd (CN) 2025-08-28 US disclosed
US-20240158406-A1 PIPERAZINE DERIVATIVE AND USE THEREOF IN MEDICINE KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2024-05-16 US disclosed
CN-118027039-A Crystal of substituted piperazine derivative and preparation method thereof 成都百裕制药股份有限公司 2024-05-14 CN disclosed
EP-4342896-A1 PIPERAZINE DERIVATIVE AND USE THEREOF IN MEDICINE Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2024-03-27 EP disclosed
CN-117586263-A Piperazine derivatives and their use in medicine 成都百裕制药股份有限公司 2024-02-23 CN disclosed
CN-117279917-A Piperazine derivatives and their use in medicine 成都百裕制药股份有限公司 2023-12-22 CN disclosed
WO-2022242750-A1 PIPERAZINE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-11-24 WO disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20140057870-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-02-27 US disclosed
US-8592422-B2 Bicyclic triazole and pyrazole lactams as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2013-11-26 US disclosed
EP-2651222-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Vanderbilt University (US) 2013-10-23 EP disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
WO-2012083224-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-21 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 (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-20140057870-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A ALDH1A1 4699/4885SMN1; SMN2 2857/4885CYP1A2 2805/4885
US-20250270223-A1 CRYSTAL OF SUBSTITUTED PIPERAZINE DERIVATIVE AND PREPARATION METHOD THEREFOR WEE1, WEE2, WASF2 ALDH1A1 539/4885SMN1; SMN2 4848/4885CYP1A2 457/4885
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 GRM3, GRM1, GRIN3A ALDH1A1 4735/4885SMN1; SMN2 2660/4885CYP1A2 4630/4885
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A ALDH1A1 4699/4885SMN1; SMN2 2857/4885CYP1A2 2805/4885
US-20240158406-A1 PIPERAZINE DERIVATIVE AND USE THEREOF IN MEDICINE VHL, GLS2, GOT2 ALDH1A1 693/4885SMN1; SMN2 3766/4885CYP1A2 447/4885

“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.