SCHEMBL4476809

SCHEMBL4476809

Clc1cnc(N2CCNCC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TAAR1 Q96RJ0 1/20 0.53
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 3/20 0.48
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HRH1 P35367 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 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
Hydrochloric Acid SCHEMBL21521887 0.98 KDM4E (0.62) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL23305296 0.98 KDM4E (0.62) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL9400849 0.82 HTR3A (0.54) KDM4EALDH1A1TAAR1ADRB1HTR3E
Hydrochloric Acid SCHEMBL20293649 0.81 HTR3A (0.52) KDM4EALDH1A1TAAR1ADRB1HTR3E
SCHEMBL29656701 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29656717 0.80 ALDH1A1 (0.44) ALDH1A1HTR3AMEN1KMT2ASMN1; SMN2
SCHEMBL5102919 0.79 ALDH1A1 (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL7991455 0.79 ALDH1A1 (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL23458786 0.79 ALDH1A1 (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL25255051 0.79 ALDH1A1 (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025092985-A1 PHOSPHODIESTERASE 4B INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 合肥医工医药股份有限公司 2025-05-08 WO disclosed
CN-119930644-A Phosphodiesterase 4B inhibitor and preparation method and application thereof 合肥医工医药股份有限公司 2025-05-06 CN disclosed
US-20250074897-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS INC (US) 2025-03-06 US disclosed
US-20250034120-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. 2025-01-30 US disclosed
US-20240190844-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. 2024-06-13 US disclosed
WO-2023241684-A1 PDE4B INHIBITOR 武汉人福创新药物研发中心有限公司 2023-12-21 WO disclosed
CN-117247395-A PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 CN disclosed
EP-4234551-A2 PYRIDAZINONES AS PARP7 INHIBITORS Ribon Therapeutics Inc. (US) 2023-08-30 EP disclosed
EP-4234551-A2 PYRIDAZINONES AS PARP7 INHIBITORS Ribon Therapeutics Inc. (US) 2023-08-30 EP disclosed
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2023-06-22 US disclosed
US-10550105-B2 Pyridazinones as PARP7 inhibitors Ribon Therapeutics Inc. (US) 2020-02-04 US disclosed
US-20190330194-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2019-10-31 US disclosed
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-02 US disclosed
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-21 US disclosed
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-03-14 US disclosed
WO-2014127350-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL THE SCRIPPS RESEARCH INSTITUTE (US) 2014-08-21 WO disclosed
US-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 US disclosed
CN-1809576-A Antiparasitic terpene alkaloids PFIZER (US) 2006-07-26 CN disclosed
US-4605655-A NEUROLEPTIC AGENTS; NO MOVEMENT DISORDER SIDE EFFECTS BRISTOL-MYERS COMPANY (US) 1986-08-12 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 (10 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-20240190844-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 KDM4E 929/4885ALDH1A1 1033/4885TAAR1 4273/4885
US-10550105-B2 Pyridazinones as PARP7 inhibitors PARP2, PARP1, PARP4 KDM4E 929/4885ALDH1A1 1033/4885TAAR1 4273/4885
US-20250034120-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 KDM4E 929/4885ALDH1A1 1033/4885TAAR1 4273/4885
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, AOC2, CBR3 KDM4E 1178/4885ALDH1A1 1655/4885TAAR1 1944/4885
US-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 KDM4E 752/4885ALDH1A1 441/4885TAAR1 537/4885
US-20190330194-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 KDM4E 929/4885ALDH1A1 1033/4885TAAR1 4273/4885
US-20250074897-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 KDM4E 929/4885ALDH1A1 1033/4885TAAR1 4273/4885
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, AOC2, CBR3 KDM4E 1178/4885ALDH1A1 1655/4885TAAR1 1944/4885
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 KDM4E 929/4885ALDH1A1 1033/4885TAAR1 4273/4885
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, XDH, CYP3A43 KDM4E 2093/4885ALDH1A1 2720/4885TAAR1 2656/4885

“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.