SCHEMBL4885913

SCHEMBL4885913

Clc1cccc(N2[CH]CNCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.60
HTR2A P28223 2/20 0.60
HTR2B P41595 2/20 0.60
HTR3E A5X5Y0 2/20 0.60
HTR3B O95264 2/20 0.60
HTR3A P46098 2/20 0.60
HTR3D Q70Z44 2/20 0.60
HTR3C Q8WXA8 2/20 0.60
ADRB1 P08588 2/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
CYP2D6 P10635 1/20 0.60
THRB P10828 1/20 0.60
CYP2C9 P11712 1/20 0.60
SLC6A4 P31645 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTR7 P34969 1/20 0.60
HTT P42858 1/20 0.60

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
SCHEMBL3483001 0.79 ADRB1 (0.55) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL739058 0.78 SIGMAR1 (0.52) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL3482360 0.78 ADRB1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3482603 0.78 ADRB1 (0.62) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL6094748 0.76 HTR2C (0.63) HTR2CHTR2AHTR2BHTR3EHTR3B
Chlorophenylpiperazine SCHEMBL48931 0.75 ADRB1 (1.00) HTR2CHTR2AHTR2BHTR3EHTR3B
Chlorophenylpiperazine SCHEMBL8317392 0.75 ADRB1 (1.00) HTR2CHTR2AHTR2BHTR3EHTR3B
Chlorophenylpiperazine SCHEMBL29361195 0.75 ADRB1 (1.00) HTR2CHTR2AHTR2BHTR3EHTR3B
Chlorophenylpiperazine SCHEMBL1320253 0.74 ADRB1 (0.96) HTR2CHTR2AHTR2BHTR3EHTR3B
Chlorophenylpiperazine SCHEMBL20500310 0.74 ADRB1 (0.96) HTR2CHTR2AHTR2BHTR3EHTR3B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150963-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 광주과학기술원 2024-07-18 WO claimed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP claimed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP claimed
WO-2024150963-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 광주과학기술원 2024-07-18 WO disclosed
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS VIA ARIOSTO, 23 (IT) 2008-05-15 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 US disclosed
US-20030229108-A1 Barbituric acid analogs as therapeutic agents NOVUSPHARMA S.P.A. (IT) 2003-12-11 US disclosed
EP-1305026-A2 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS Novuspharma S.p.A. (IT) 2003-05-02 EP disclosed
WO-2001093841-A2 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS NOVUSPHARMA S.P.A. (IT) 2001-12-13 WO disclosed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP disclosed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US disclosed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 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 (3 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 HTR2C 3885/4885HTR2A 3268/4885HTR2B 1223/4885
US-20030229108-A1 Barbituric acid analogs as therapeutic agents HIF1AN, HIF1A, VHL HTR2C 3620/4885HTR2A 2783/4885HTR2B 3317/4885
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS HIF1A, HIF1AN, PDGFA HTR2C 3974/4885HTR2A 2242/4885HTR2B 2882/4885

“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.