SCHEMBL14935646

SCHEMBL14935646

Cc1cc(CC(O)CO)cnc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.46
GPR119 Q8TDV5 9/20 0.43
KIT P10721 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
WNT3A P56704 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
SCHEMBL12073757 1.00 RET (0.46) RETGPR119KITMEN1KMT2A
SCHEMBL12074313 0.89 GPR119 (0.46) GPR119KITMEN1KMT2ACKS1B
SCHEMBL9999353 0.89 GPR119 (0.46) GPR119KITMEN1KMT2ACKS1B
SCHEMBL12074543 0.89 GPR119 (0.46) GPR119KITMEN1KMT2ACKS1B
SCHEMBL2366752 0.85 GPR119 (0.47) RETGPR119KITMEN1KMT2A
SCHEMBL2366536 0.83 GPR119 (0.46) RETGPR119KITMEN1KMT2A
SCHEMBL9998927 0.81 RET (0.45) RETGPR119KITMEN1KMT2A
SCHEMBL2365638 0.80 RET (0.47) RETGPR119KITMEN1KMT2A
SCHEMBL12073018 0.80 TRPV1 (0.53) GPR119
SCHEMBL14935671 0.80 TRPV1 (0.53) GPR119

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 RET 2141/4885GPR119 84/4885KIT 228/4885

“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.