SCHEMBL3285142

SCHEMBL3285142

COc1cccc(CCCCN)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.77
CHRM2 P08172 2/20 0.61
CHRM1 P11229 2/20 0.61
CHRM3 P20309 2/20 0.61
AOC3 Q16853 1/20 0.58
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
MAOB P27338 2/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL3285178 0.98 TAAR1 (0.74) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL27842525 0.98 TAAR1 (0.74) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL895673 0.95 TAAR1 (0.79) TAAR1CHRM2CHRM1CHRM3AOC3
Hydrochloric Acid SCHEMBL1027480 0.93 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL21002162 0.91 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL21002124 0.89 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL42400 0.87 TAAR1 (1.00) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL21002016 0.87 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL29986862 0.87 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3AOC3
Hydrochloric Acid SCHEMBL10917318 0.85 TAAR1 (0.96) TAAR1CHRM2CHRM1CHRM3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727920-B1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2016-11-02 EP disclosed
US-8841456-B2 1,5-naphthyridine derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-09-23 US disclosed
US-20140142302-A1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-05-22 US disclosed
EP-2727920-A1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-05-07 EP disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
US-7479496-B2 Substituted spiro azabicyclics as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-20 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
US-20050197325-A1 Substituted spiro azabicyclics as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
WO-2005080376-A1 SUBSTITUTED SPIRO AZABICYCLICS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 WO disclosed
US-5661185-A AN ALKOXYPHENYL-ALKYLUREA COMPOUND TREATING SLEEP DISORDER BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 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-20050197325-A1 Substituted spiro azabicyclics as modulators of chemokine receptor activity CCR3, CCR1, CCR2 TAAR1 146/4885CHRM2 132/4885CHRM1 180/4885
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 TAAR1 634/4885CHRM2 38/4885CHRM1 13/4885
US-20140142302-A1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF NRAS, RAF1, KRAS TAAR1 3612/4885CHRM2 3219/4885CHRM1 2120/4885

“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.