SCHEMBL16135136

SCHEMBL16135136

Cc1cc(OCC2CC2)c(C)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RIPK1 Q13546 1/20 0.38
HPGD P15428 1/20 0.38
MCHR1 Q99705 3/20 0.37
DHFR P00374 1/20 0.37
ELANE P08246 1/20 0.36
HTR2C P28335 5/20 0.35
HTR2A P28223 3/20 0.35
HTR2B P41595 2/20 0.35

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
SCHEMBL23909099 0.85 CNR2 (0.38) NOS3NOS1NOS2HTR2CHTR2B
SCHEMBL23966498 0.83 NOS3 (0.39) NOS3NOS1NOS2ALDH1A1CYP1A2
SCHEMBL23915543 0.81 CNR2 (0.40) NOS3NOS1NOS2HTR2CHTR2B
SCHEMBL13475569 0.79 HPGD (0.49) TSHRHPGDMCHR1ELANEGAA
SCHEMBL16135064 0.79 MCHR1 (0.47) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL16135018 0.79 CYP3A4 (0.38) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL20201699 0.79 PDE10A (0.40) RIPK1HPGDELANEHTR2CHTR2A
SCHEMBL20201700 0.79 ALDH1A1 (0.42) ALDH1A1RIPK1HTR2CHTR2BPOLB
SCHEMBL2561303 0.77 NOS3 (0.44) NOS3NOS1NOS2ALDH1A1RIPK1
SCHEMBL16134990 0.77 CYP3A4 (0.39) CYP3A4TSHRMAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309191-B2 Amidine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-12 US disclosed
US-9309191-B2 Amidine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-12 US disclosed
US-9309191-B2 Amidine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-12 US disclosed
US-20160046564-A1 AMIDINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-18 US disclosed
WO-2014157596-A1 AMIDINE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2014-10-02 WO 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-20160046564-A1 AMIDINE COMPOUND AND USE THEREOF ARGLU1, ARG1, PRMT1 CYP3A4 1871/4885TSHR 162/4885MAPK1 477/4885

“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.