SCHEMBL14935694

SCHEMBL14935694

Cc1cc(CC(O)CO)cnc1N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR2C P28335 1/20 0.36
RET P07949 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ADRB1 P08588 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 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
SCHEMBL12073759 1.00 MEN1 (0.37) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL12074542 0.86 TRPV1 (0.35) TAAR1PIM1PIM3PIM2
SCHEMBL14935790 0.86 TRPV1 (0.35) TAAR1PIM1PIM3PIM2
SCHEMBL12074167 0.86 TRPV1 (0.41) CHRNB2CHRNA4
SCHEMBL12074068 0.86 TRPV1 (0.35) TAAR1PIM1PIM3PIM2
SCHEMBL12072999 0.86 KIT (0.35) PIM1PIM3PIM2
Hydrochloric Acid SCHEMBL14935784 0.85 TRPV1 (0.40) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL14935783 0.85 TRPV1 (0.40) CHRNB2CHRNA4
SCHEMBL18902025 0.81 MEN1 (0.40) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL2366166 0.79 KCNH2 (0.46) MEN1CYP1A2CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 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 (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-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 MEN1 4737/4885CYP1A2 2129/4885CYP3A4 2190/4885

“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.