SCHEMBL1012802

SCHEMBL1012802

c1cc(N2CCNCC2)c2cc[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 1.00
HTR6 P50406 2/20 1.00
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
DRD4 P21917 1/20 0.58
HTR1A P08908 2/20 0.57
HTR5A P47898 2/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
NCF1 P14598 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2A P28223 1/20 0.57
HTR7 P34969 1/20 0.57
MTOR P42345 1/20 0.57
HTR3A P46098 1/20 0.57

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 SCHEMBL4662618 0.98 ADRB1 (0.97) ADRB1HTR6DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL6730585 0.98 ADRB1 (0.97) ADRB1HTR6DRD2DRD3DRD4
Propionic Acid SCHEMBL6607026 0.86 ADRB1 (0.74) ADRB1HTR6DRD2DRD3DRD4
Trifluoroacetic Acid SCHEMBL30839757 0.86 ADRB1 (0.74) ADRB1HTR6DRD2DRD3DRD4
SCHEMBL20581870 0.86 ADRB1 (0.75) ADRB1HTR6DRD2DRD3DRD4
SCHEMBL6686430 0.85 HTR6 (0.72) ADRB1HTR6DRD2DRD3DRD4
SCHEMBL8861994 0.84 ADRB1 (0.73) ADRB1HTR6DRD2DRD3DRD4
SCHEMBL30160211 0.84 ADRB1 (0.73) ADRB1HTR6DRD2DRD3DRD4
SCHEMBL7220884 0.84 HTR6 (0.71) ADRB1HTR6DRD2DRD3DRD4
Tert-Butyl Formate SCHEMBL27568631 0.84 HTR6 (0.71) ADRB1HTR6DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112829-A1 USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-04-27 US claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
JP-2008521903-A 2008-06-26 JP claimed
CN-101193867-A N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole libraries OSI PHARM INC (US) 2008-06-04 CN claimed
EP-1888559-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR Wyeth a Corporation of the State of Delaware (US) 2008-02-20 EP claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US claimed
WO-2006135839-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR WYETH (US) 2006-12-21 WO claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP claimed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO claimed
EP-0737678-B1 4-Indolylpiperazinyl derivatives AMERICAN HOME PROD (US) 2002-06-19 EP claimed
EP-0737677-A1 4-Indolylpiperazinyl derivates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-10-16 EP claimed
JP-8319274-A None JP disclosed
JP-8283262-A None JP disclosed
CN-116554145-B Aralkyl-4- (1H) indolylpiperazine derivative, preparation method and application thereof 江苏恩华药业股份有限公司 2025-06-03 CN disclosed
US-4833142-A Blood-pressure lowering 4-bicyclic-1-piperazinyl-alkyl amides DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1989-05-23 US disclosed
EP-0138280-B1 BLOOD-PRESSURE LOWERING PIPERAZINE DERIVATIVES DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-06-08 EP disclosed
EP-0138280-A2 Blood-pressure lowering piperazine derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-04-24 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-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D ADRB1 59/4885HTR6 16/4885DRD2 22/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K ADRB1 3656/4885HTR6 3700/4885DRD2 4114/4885

“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.