SCHEMBL10123635

SCHEMBL10123635

CC(C)(O)c1ccn2ccc(C#N)c2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA3 P34903 2/20 0.37
AR P10275 13/20 0.36
PGR P06401 6/20 0.36
GABRA5 P31644 1/20 0.36
GRM2 Q14416 1/20 0.35
CYP11B2 P19099 1/20 0.33
PIK3CD O00329 1/20 0.31
PTGES O14684 1/20 0.31

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
SCHEMBL10123639 0.86 KIF11 (0.35) ARPGR
SCHEMBL343412 0.79 CA2 (0.37) ARPGRCYP11B2
SCHEMBL10123575 0.73 MAOA (0.35) GABRA1GABRG2GABRB3GABRA3AR
SCHEMBL10123651 0.71 CDC7 (0.33)
SCHEMBL10123650 0.70 MEN1 (0.38) PGRCYP11B2
SCHEMBL10123594 0.69 CYP2A6 (0.38)
SCHEMBL10123632 0.69 ALDH1A1 (0.34) ARPGR
SCHEMBL344216 0.69 TLR9 (0.36) GABRA1GABRG2GABRB3GABRA3
SCHEMBL344208 0.69 KDM4E (0.43) ARPGR
SCHEMBL343188 0.69 CSNK2A1 (0.34) ARCYP11B2

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 GABRA1 4138/4885GABRG2 4426/4885GABRB3 4170/4885

“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.