Sugi Predict

Sugi Predict / Compounds / SCHEMBL615260

SCHEMBL615260

SCHEMBL615260

Clc1cccc(N2CCNCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 6/20 1.00
▸ HTR3B O95264 6/20 1.00
▸ HTR3A P46098 6/20 1.00
▸ HTR3D Q70Z44 6/20 1.00
▸ HTR3C Q8WXA8 6/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ CYP1A2 P05177 4/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ HTR2C P28335 4/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ HTR1A P08908 3/20 0.59
▸ HTR2A P28223 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59

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 SCHEMBL11600638 0.98 HTR3E (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
Trifluoroacetic Acid SCHEMBL28673132 0.85 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1780590 0.84 ALDH1A1 (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1810974 0.82 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16334097 0.82 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6242154 0.81 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16333725 0.81 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27643869 0.79 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26220995 0.79 HTR3A (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23770804 0.78 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580465-A1 New therapeutic use of heterocyclic piperazines as 5-HT3 agonists and new derivatives SANOFI (FR) 1994-01-26 — — EP claimed
US-4078063-A ANOREXIC AGENTS MERCK & CO., INC. (US) 1978-03-07 — — US claimed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 — — US disclosed
CN-1989106-B N-hydroxyamide derivatives and their use MERCK SERONO SA 2013-12-04 — — CN disclosed
WO-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 — — WO disclosed
EP-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 — — EP disclosed
EP-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 — — EP disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 — — US disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 — — US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives — 2011-12-28 — — CN disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 — — EP disclosed
US-5447931-A 6-Bromo-2-/4-methylpiperazinyl/pyridine and salts; drugs; treatment of disorders of serotoninergic system SANOFI (FR) 1995-09-05 — — US disclosed
EP-0668276-A1 2-ALKOXY-5,6,7,8-TETRAHYDROQUINOXALINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-08-23 — — EP disclosed
EP-0345808-B1 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-01-11 — — EP disclosed
EP-0580465-A1 New therapeutic use of heterocyclic piperazines as 5-HT3 agonists and new derivatives SANOFI (FR) 1994-01-26 — — EP disclosed
US-4954502-A Antidepressants BRISTOL-MYERS SQUIBB COMPANY (US) 1990-09-04 — — US disclosed
EP-0345808-A1 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines Bristol-Myers Squibb Company (US) 1989-12-13 — — EP disclosed
US-4409228-A ANOREXIGENIC AGENTS SANOFI (FR) 1983-10-11 — — US disclosed
EP-0021973-B1 ANORECTIC AMINO PIPERIDINES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM SANOFI S.A. (FR) 1982-12-08 — — EP disclosed
EP-0021973-A2 Anorectic amino piperidines, process for their preparation and medicaments containing them SANOFI S.A. (FR) 1981-01-07 — — 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 (1 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-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR HTR3E 102/4885HTR3B 74/4885HTR3A 26/4885

“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.