SCHEMBL3285178

SCHEMBL3285178

COc1cccc(CCCCCN)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.74
CHRM2 P08172 2/20 0.59
CHRM1 P11229 2/20 0.59
CHRM3 P20309 2/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
AOC3 Q16853 1/20 0.57
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
MAOB P27338 1/20 0.54
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL27842525 1.00 TAAR1 (0.74) TAAR1CHRM2CHRM1CHRM3HDAC1
SCHEMBL3285142 0.98 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3HDAC1
SCHEMBL895673 0.93 TAAR1 (0.79) TAAR1CHRM2CHRM1CHRM3HDAC1
Hydrochloric Acid SCHEMBL1027480 0.91 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL21002124 0.91 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3HDAC1
SCHEMBL21002162 0.89 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3HDAC1
SCHEMBL12630196 0.86 SIGMAR1 (0.66) TAAR1CHRM2CHRM1CHRM3HDAC1
SCHEMBL42400 0.85 TAAR1 (1.00) TAAR1CHRM2CHRM1CHRM3AOC3
SCHEMBL21002016 0.85 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3HDAC1
SCHEMBL29986862 0.85 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
EP-0709376-B1 Phenylpiperidino derivatives as neurokinin antagonists ASTRAZENECA AB (SE) 2003-07-23 EP disclosed
EP-0709376-A2 Therapeutic compounds ZENECA LIMITED (GB) 1996-05-01 EP disclosed
US-5028256-A Metolachlor and an acylamide compound, for maize or sorghum CIBA-GEIGY CORPORATION (US) 1991-07-02 US disclosed
US-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed
EP-0163607-B1 MEANS FOR THE PROTECTION OF CULTURE PLANTS AGAINST THE PHYTOTOXIC ACTION OF CHLORACETANILIDE HERBICIDES CIBA-GEIGY AG (CH) 1989-11-08 EP disclosed
EP-0163607-A2 Means for the protection of culture plants against the phytotoxic action of chloracetanilide herbicides CIBA-GEIGY AG (CH) 1985-12-04 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-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 TAAR1 634/4885CHRM2 38/4885CHRM1 13/4885

“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.