SCHEMBL10123641

SCHEMBL10123641

Cc1c(Cl)ccn2ccc(C#N)c12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.32
TSHR P16473 1/20 0.32
AR P10275 6/20 0.32
ALDH1A1 P00352 1/20 0.30
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL10123643 0.81 TSHR (0.39) TSHRALDH1A1
SCHEMBL10123623 0.78 TSHR (0.36) TSHRARALDH1A1
SCHEMBL10123577 0.76 PSMB8 (0.37) TRPV4ARALDH1A1
SCHEMBL10123587 0.72 TSHR (0.47) TSHRARALDH1A1
SCHEMBL10123589 0.70 TSHR (0.36) TSHR
SCHEMBL9442680 0.67 TRPV4 (0.43) TRPV4TSHRARALDH1A1
SCHEMBL10123621 0.67 AR (0.37) TRPV4TSHRARALDH1A1
SCHEMBL102325 0.66 TSHR (0.48) TRPV4TSHRARALDH1A1
SCHEMBL3976812 0.66 AR (0.51) TRPV4AR
SCHEMBL10123586 0.66 TSHR (0.35) TSHRARALDH1A1

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
US-8748452-B2 Indolizine derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-01-19 US 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 TRPV4 4205/4885TSHR 1474/4885AR 2956/4885

“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.