SCHEMBL2617751

SCHEMBL2617751

COc1ccc(N2CCNCC2)cn1

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.88
CHRNA4 P43681 10/20 0.88
ADRB1 P08588 4/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
CHRNB4 P30926 2/20 0.55
CHRNA3 P32297 2/20 0.55
OGA O60502 1/20 0.48
TGFBR1 P36897 1/20 0.48
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
RIOK2 Q9BVS4 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
SCHEMBL31401416 1.00 CHRNB2 (0.88) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL5230743 0.94 CHRNB2 (1.00) CHRNB2CHRNA4ADRB1HTR3EHTR3B
Trifluoroacetic Acid SCHEMBL26093287 0.87 CHRNB2 (0.68) CHRNB2CHRNA4ADRB1HTR3EHTR3B
Trifluoroacetic Acid SCHEMBL2119009 0.87 CHRNB2 (0.68) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL5312452 0.83 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3OGA
SCHEMBL3104376 0.83 CHRNB2 (0.63) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL9393877 0.81 CHRNB2 (0.79) CHRNB2CHRNA4HTR3ACHRNB4CHRNA3
SCHEMBL6884588 0.81 CHRNB2 (0.61) CHRNB2CHRNA4HTR3ACHRNB4CHRNA3
SCHEMBL3104417 0.80 CHRNB2 (0.60) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL24921493 0.80 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO disclosed
US-20190169202-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-06-06 US disclosed
WO-2019050988-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO BLACKTHORN THERAPEUTICS, INC. (US) 2019-03-14 WO disclosed
US-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
US-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
EP-3243816-A1 PROCESS FOR PREPARING A SUBSTITUTED AROMATIC OR HETEROAROMATIC HYDROCARBON AND ITS USE Studiengesellschaft Kohle mbH (DE) 2017-11-15 EP disclosed
EP-3243816-A1 PROCESS FOR PREPARING A SUBSTITUTED AROMATIC OR HETEROAROMATIC HYDROCARBON AND ITS USE Studiengesellschaft Kohle mbH (DE) 2017-11-15 EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 WO disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 WO disclosed
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
EP-2121633-A2 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008099210-A2 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK & CO., INC. (US) 2008-08-21 WO disclosed
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 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 (4 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-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing NISCH, CYP51A1, CYP4F11 CHRNB2 4757/4885CHRNA4 4716/4885ADRB1 912/4885
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS PSEN1, PSEN2, APP CHRNB2 68/4885CHRNA4 211/4885ADRB1 70/4885
US-20190169202-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1A, AVPR2, AVPR1B CHRNB2 1338/4885CHRNA4 1119/4885ADRB1 55/4885
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 CHRNB2 4090/4885CHRNA4 3606/4885ADRB1 3829/4885

“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.