SCHEMBL112735

SCHEMBL112735

Nc1cccc(N2CCNCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.65
ADRB1 P08588 4/20 0.65
HTR3E A5X5Y0 4/20 0.65
HTR3B O95264 4/20 0.65
HTR3A P46098 4/20 0.65
HTR3D Q70Z44 4/20 0.65
HTR3C Q8WXA8 4/20 0.65
SIGMAR1 Q99720 4/20 0.65
HTR1A P08908 4/20 0.65
HTR2C P28335 3/20 0.65
THRB P10828 2/20 0.65
HTR6 P50406 2/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
HTR2A P28223 1/20 0.65
SLC6A4 P31645 1/20 0.65
CYP2C19 P33261 1/20 0.65

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
SCHEMBL29922419 1.00 HTR7 (0.65) HTR7ADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL3072479 0.98 HTR7 (0.62) HTR7ADRB1HTR3EHTR3BHTR3A
SCHEMBL116919 0.93 ADRB1 (0.57) HTR7ADRB1HTR3EHTR3BHTR3A
SCHEMBL6942579 0.85 ADRA2C (0.80) HTR7HTR1AHTR6CYP3A4HTR2A
Phenylpiperazine SCHEMBL29235019 0.84 ADRB1 (0.80) HTR7ADRB1HTR3EHTR3BHTR3A
SCHEMBL8709443 0.84 DRD2 (0.85) HTR7ADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7077636 0.83 ADRA2C (0.77) HTR7HTR1ATHRBHTR6TP53
Tert-Butyl Formate SCHEMBL27721029 0.82 ADRB1 (0.51) HTR7ADRB1HTR3EHTR3BHTR3A
SCHEMBL17276711 0.82 ADRB1 (0.67) HTR7ADRB1HTR3EHTR3BHTR3A
SCHEMBL15289763 0.81 ADRA2C (0.68) THRBTP53CYP3A4HTTADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163279-A3 LOW-POWER WIRELESSLY-LINKED RFID TRACKING SYSTEM ROSE MARK D (US) 2012-05-10 WO claimed
EP-1592425-A4 NEW ARYLPIPERAZINYL COMPOUNDS EPIX DELAWARE INC (US) 2007-01-24 EP claimed
EP-1592425-A2 NEW ARYLPIPERAZINYL COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2005-11-09 EP claimed
US-20040220192-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2004-11-04 US claimed
WO-2004069794-A2 NEW ARYLPIPERAZINYL COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-08-19 WO claimed
US-12078634-B2 Broad spectrum kinase binding agents PROMEGA CORPORATION (US) 2024-09-03 US disclosed
EP-3623398-B1 RESIN COMPOSITION COMPRISING A MODIFIED BLOCK COPOLYMER AND METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER ASAHI CHEMICAL IND (JP) 2024-08-28 EP disclosed
US-20230194515-A1 BROAD SPECTRUM KINASE BINDING AGENTS PROMEGA CORPORATION 2023-06-22 US disclosed
US-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-11442063-B2 Broad spectrum kinase binding agents PROMEGA CORPORATION (US) 2022-09-13 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 US disclosed
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20040044008-A1 Use of therapeutic benzamide derivatives DAUGAN ALAIN CLAUDE-MARIE (FR) 2004-03-04 US disclosed
CN-1433407-A Bis-aryl sulfones PHARMACIA & UP JOHN CO (US) 2003-07-30 CN disclosed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US disclosed
EP-1286670-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-03-05 EP disclosed
WO-2001097810-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-12-27 WO disclosed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO disclosed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 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 (7 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-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 HTR7 3355/4885ADRB1 883/4885HTR3E 2939/4885
US-11442063-B2 Broad spectrum kinase binding agents MAP4K2, MAP3K20, MAP4K1 HTR7 3902/4885ADRB1 4020/4885HTR3E 3467/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 HTR7 3355/4885ADRB1 883/4885HTR3E 2939/4885
US-20230194515-A1 BROAD SPECTRUM KINASE BINDING AGENTS MAP4K2, MAP3K20, MAP4K1 HTR7 3902/4885ADRB1 4020/4885HTR3E 3467/4885
US-20040044008-A1 Use of therapeutic benzamide derivatives MTTP, LIPC, CETP HTR7 2537/4885ADRB1 1133/4885HTR3E 2764/4885
US-20040220192-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A HTR7 7/4885ADRB1 28/4885HTR3E 15/4885
US-12078634-B2 Broad spectrum kinase binding agents MAP4K2, MAP3K20, MAP4K1 HTR7 3902/4885ADRB1 4020/4885HTR3E 3467/4885

“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.