SCHEMBL169400

SCHEMBL169400

C1=C(c2ccccn2)CCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
HTR2C P28335 8/20 0.55
GRM5 P41594 1/20 0.50
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
QDPR P09417 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
DRD2 P14416 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL30454304 1.00 SIGMAR1 (0.56) SIGMAR1HTR2CGRM5KDM4ELMNA
Hydrochloric Acid SCHEMBL4002469 0.98 HTR2C (0.58) SIGMAR1HTR2CGRM5KDM4ELMNA
Hydrochloric Acid SCHEMBL17667435 0.98 HTR2C (0.58) SIGMAR1HTR2CGRM5KDM4ELMNA
SCHEMBL7476651 0.91 SIGMAR1 (0.47) SIGMAR1HTR2CGRM5KDM4ELMNA
Trifluoroacetic Acid SCHEMBL9023698 0.86 SIGMAR1 (0.46) SIGMAR1HTR2CGRM5QDPRHTR6
SCHEMBL17721314 0.84 KDM4E (0.43) SIGMAR1GRM5KDM4ELMNACYP1A2
SCHEMBL3926159 0.81 KDM4E (0.48) GRM5KDM4ELMNACYP1A2POLB
SCHEMBL14540617 0.79 HTR6 (0.66) SIGMAR1HTR2CGRM5KDM4EALDH1A1
SCHEMBL4789542 0.79 SIGMAR1 (0.47) SIGMAR1HTR2CKDM4EQDPRALDH1A1
SCHEMBL30427007 0.79 SIGMAR1 (0.52) SIGMAR1HTR2CKDM4EQDPRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813307-A Difunctional degradants of interleukin-1 receptor related kinase and therapeutic uses thereof 新锐思生物制药股份有限公司 2024-04-02 CN disclosed
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed
WO-2023000834-A1 BENZIMIDAZOLE OR AZABENZIMIDAZOLE-6-CARBOXYLIC ACID COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2023-01-26 WO disclosed
WO-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 WO disclosed
CN-113480534-B Benzimidazole or azabenzimidazole-6-carboxylic acid compounds and application thereof 广州必贝特医药股份有限公司 2022-05-13 CN disclosed
EP-3423436-B1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-04 US disclosed
CN-110382478-A 2,6- Disubstituted pyridine derivatives 大日本住友制药株式会社 2019-10-25 CN disclosed
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-21 US disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-6114522-A DEPROTONIZING A BEZOXAZEPINE DERIVATIVE WITH A BASE, REACTING THE DEPROTONIZED PRODUCT WITH A PHOSPHATE HALIDE TO PRODUCE AN INTERMEDIATE, REACTING INTERMEDIATE WITH A COMPLEX OF HALOGEN AND TRIALKYL OR ARYL PHOSPHINE SUNTORY LIMITED (JP) 2000-09-05 US disclosed
US-6096884-A CROSS COUPLING REACTION OF A 2-HALOPYRIDINE DERIVATIVE AND A 4-HALOPYRIDINE USING A NICKEL COMPLEX CATALYST SUNTORY LIMITED (JP) 2000-08-01 US disclosed
EP-0966440-A1 METHOD OF PRODUCTION AND METHOD OF SEPARATION OF 2,4'-DIPYRIDYL DERIVATIVES AND METHODS OF PRODUCTION OF BENZOXAZEPINE DERIVATIVES AND SALTS THEREOF SUNTORY LIMITED (JP) 1999-12-29 EP disclosed
WO-1999065896-A1 PREPARATION OF HETEROARYL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
CN-1236363-A Process for production of 4-substituted-3-halogeno-1, 4-benzoxazepine derivative and salts thereof SUNTORY LTD (JP) 1999-11-24 CN disclosed
CN-1230950-A Method of production and method of separation of 2,4'-dipyridyl derivatives and methods of production of benzoxazepine derivatives and salts thereof SUNTORY LTD (JP) 1999-10-06 CN disclosed
EP-0925288-A1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LIMITED (JP) 1999-06-30 EP disclosed
WO-1999003847-A1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LIMITED (JP) 1999-01-28 WO disclosed
WO-1998052922-A1 METHOD OF PRODUCTION AND METHOD OF SEPARATION OF 2,4'-DIPYRIDYL DERIVATIVES AND METHODS OF PRODUCTION OF BENZOXAZEPINE DERIVATIVES AND SALTS THEREOF SUNTORY LIMITED (JP) 1998-11-26 WO disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP 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 (2 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-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, XDH, CYP3A43 SIGMAR1 3152/4885HTR2C 1340/4885GRM5 2520/4885
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, XDH, CYP3A43 SIGMAR1 3569/4885HTR2C 1735/4885GRM5 3056/4885

“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.