SCHEMBL12240318

SCHEMBL12240318

CNCc1c(C)cccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.47
▸ HTR1B P28222 2/20 0.43
▸ SLC6A4 P31645 4/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ SCN8A Q9UQD0 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ HTR2A P28223 3/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1E P28566 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HTR5A P47898 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 0.39

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
SCHEMBL2549434 0.88 HTR7 (0.50) HTR7HTR1BSLC6A4SLC6A2SLC6A3
SCHEMBL21600983 0.81 HTR1A (0.42) HTR7HTR1BSCN8ACHRM2HTR2A
SCHEMBL17113747 0.81 CYP3A4 (0.42) HTR1BHTR1DCA1CA2CA7
SCHEMBL21600902 0.80 ADRB2 (0.42) HTR1BSCN8ACHRM2KCNH2HIF1A
SCHEMBL13408002 0.79 KDM1A (0.54) HTR7SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL726216 0.78 KDM4E (0.46) SCN8ACA12CA1CA2CA4
SCHEMBL2424037 0.76 TAAR1 (0.42) CA12CA1CA2CA4CA7
SCHEMBL2380969 0.76 CA1 (0.42) SCN8ACHRM2CA12CA1CA2
SCHEMBL696242 0.76 TP53 (0.43) CA12CA1CA2CA4CA7
SCHEMBL695730 0.76 CA1 (0.42) SCN8ACHRM2HTR2AHTR2CCA12

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
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 — — WO disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 — — US disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 — — US disclosed
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2015-02-05 — — US disclosed
US-8927503-B2 Modulations of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2015-01-06 — — US disclosed
US-8901085-B2 — — 2014-12-02 — — US disclosed
US-20140315796-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2014-10-23 — — US disclosed
US-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-07-18 — — US disclosed
US-20110263569-A1 RYANODINE CHANNEL BINDERS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-10-27 — — 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 (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-20110263569-A1 RYANODINE CHANNEL BINDERS AND USES THEREOF RYR2, RYR1, CACNA1F HTR7 4289/4885HTR1B 2552/4885SLC6A4 2348/4885
US-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 HTR7 415/4885HTR1B 361/4885SLC6A4 4332/4885
US-20140315796-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 HTR7 1590/4885HTR1B 1801/4885SLC6A4 4607/4885
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 HTR7 377/4885HTR1B 424/4885SLC6A4 4428/4885

“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.

Send feedback