SCHEMBL218554

SCHEMBL218554

Clc1cccc(N2CC[N]CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.62
HTR3B O95264 2/20 0.62
HTR3A P46098 2/20 0.62
HTR3D Q70Z44 2/20 0.62
HTR3C Q8WXA8 2/20 0.62
HTR1A P08908 2/20 0.62
HTR2A P28223 2/20 0.62
HTR7 P34969 2/20 0.62
HTR6 P50406 2/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
ADRB1 P08588 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
THRB P10828 1/20 0.62
CYP2C9 P11712 1/20 0.62
HTR2C P28335 1/20 0.62
SLC6A4 P31645 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTR2B P41595 1/20 0.62

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
SCHEMBL11100857 0.86 ALDH1A1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6714846 0.86 ALDH1A1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29595602 0.82 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1822683 0.82 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26770369 0.82 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30407444 0.82 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9646111 0.80 ALDH1A1 (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11922752 0.80 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2835955 0.79 ADRB1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4070205 0.78 HTR3E (0.65) 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 213 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP claimed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
US-4886805-A Novel aminoalkylthio derivatives of triazolopyridine or triazoloquinoline, the processes for their preparation, and drugs, useful especially as analgesics, in which they are present Centre D'Activite Et De Recherches Pharmaceutique Industrielle Biologique Medicale (FR) 1989-12-12 US claimed
EP-0169581-B1 ANTITUSSIVE AND MUCUS REGULATING 2-SUBSTITUTED THIAZOLIDINES BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1989-12-06 EP claimed
US-4857643-A Antitussive and mucus regulating 2-substituted thiazolidines BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-08-15 US claimed
EP-0254623-A1 Aminoalkylthio triazolopyridine or triazoloquinoline derivatives, process for their preparation, medicaments containing them, particularly useful as antalgics LABORATOIRES UPSA (FR) 1988-01-27 EP claimed
US-4569994-A Dibenzo[b,d]pyranyloxyaminopropanols PENNWALT CORPORATION 1986-02-11 US claimed
EP-0169581-A2 Antitussive and mucus regulating 2-substituted thiazolidines BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1986-01-29 EP claimed
US-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US claimed

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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R HTR3E 804/4885HTR3B 835/4885HTR3A 741/4885
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 HTR3E 1158/4885HTR3B 591/4885HTR3A 937/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 HTR3E 1158/4885HTR3B 591/4885HTR3A 937/4885
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 HTR3E 1691/4885HTR3B 1972/4885HTR3A 2067/4885

“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.