SCHEMBL967698

SCHEMBL967698

COC(CNCc1ccc(C)s1)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.52
TP53 P04637 2/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34

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
SCHEMBL2719762 0.74 PRMT6 (0.63) PRMT6TP53THRBALDH1A1LMNA
SCHEMBL2986077 0.72 KMT2A (0.53) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11997972 0.72 CA2 (0.31)
SCHEMBL2264185 0.72 CA2 (0.34) CYP3A4CYP2D6
SCHEMBL8239574 0.71 TP53 (0.50) PRMT6TP53THRBALDH1A1LMNA
SCHEMBL12205665 0.69 CHRM2 (0.48) MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL10863449 0.69 MEN1 (0.58) PRMT6TP53THRBALDH1A1LMNA
SCHEMBL23432958 0.68 PRMT6 (0.61) PRMT6TP53THRBALDH1A1LMNA
SCHEMBL4413504 0.68 PRMT6 (0.55) PRMT6TP53THRBALDH1A1LMNA
SCHEMBL21311972 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501769-B2 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7875627-B2 e.g.1-(4-Chloro-benzyl)-3-(2-methyl-thieno[2,3-c]pyridin-3-yl)-urea; 2-Methyl-thieno[2,3-c]pyridin-3-yl)-carbamic acid 4-trifluoromethylsulfanyl-benzyl ester; controlling pain, urinary incontinence, bladder overactivity, and inflammatory thermal hyperalgesia in mammals ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 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-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof TRPV1, GPR55, P2RX6 PRMT6 1373/4885TP53 3767/4885THRB 667/4885
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF TRPV1, GPR55, P2RX6 PRMT6 1373/4885TP53 3767/4885THRB 667/4885

“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.