SCHEMBL344089

SCHEMBL344089

CC(C)Oc1ccncc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP3A5 P20815 1/20 0.40
TRPA1 O75762 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SSTR4 P31391 3/20 0.38
NFE2L2 Q16236 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
AAK1 Q2M2I8 3/20 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
SCHEMBL26362555 0.76 LOXL2 (0.38) CYP3A4CYP3A5GPBAR1MKNK1MKNK2
SCHEMBL18833585 0.75 CA12 (0.49) TRPA1RXRARXRBRXRGSLC6A2
SCHEMBL105728 0.73 ADRA2A (0.53) TRPA1RXRARXRBRXRGSLC6A2
SCHEMBL4072595 0.73 NOTUM (0.37) TRPA1ADRA2AADRA2BADRA2CMKNK1
SCHEMBL2737349 0.72 RPS6KA3 (0.42) TRPA1HTR2CAAK1LATS1
SCHEMBL23542432 0.72 MKNK1 (0.36) CYP3A4CYP3A5ADRA2AADRA2BADRA2C
SCHEMBL18430045 0.72 CSNK2A1 (0.46) CYP3A4CYP3A5SLC6A2SLC6A4HTR2C
SCHEMBL20481226 0.72 CA12 (0.37) SLC6A2SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL4072592 0.72 MKNK1 (0.36) CYP3A4CYP3A5GPBAR1ADRA2AADRA2B
SCHEMBL19088189 0.72 MKNK1 (0.36) CYP3A4CYP3A5GPBAR1ADRA2AADRA2B

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-8748452-B2 Indolizine derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-10 US disclosed
EP-2415771-B1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
EP-2415771-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-01-19 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-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, INMT, PON1 CYP3A4 253/4885CYP3A5 39/4885TRPA1 4348/4885

“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.