SCHEMBL9608846

SCHEMBL9608846

C=NCCc1cccc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.61
CHRM2 P08172 3/20 0.57
CHRM1 P11229 3/20 0.57
CHRM3 P20309 3/20 0.57
SIGMAR1 Q99720 1/20 0.54
AOC3 Q16853 1/20 0.54
IDO1 P14902 2/20 0.51
AGXT P21549 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
ABCB1 P08183 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL7864651 0.84 TAAR1 (0.62) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL723511 0.82 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL30080050 0.82 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL11488999 0.81 TAAR1 (0.55) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL5315445 0.79 TAAR1 (0.67) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL13460501 0.79 TAAR1 (0.57) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL21002162 0.79 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL21002016 0.79 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL29986862 0.79 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL4011737 0.78 TAAR1 (0.56) TAAR1CHRM2CHRM1CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
WO-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 WO disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 TAAR1 2610/4885CHRM2 3000/4885CHRM1 3659/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TAAR1 2610/4885CHRM2 3000/4885CHRM1 3659/4885

“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.