SCHEMBL25549445

SCHEMBL25549445

C/C=C\Cc1ccc(F)cc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
RECQL P46063 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HTR2C P28335 4/20 0.33
HTR2A P28223 3/20 0.33
ALDH1A1 P00352 1/20 0.31
SOAT1 P35610 1/20 0.31
P2RX7 Q99572 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL18708697 0.78 MPO (0.41) IDO1AGXTRECQLHRH4HTR2C
SCHEMBL10383998 0.77 CA3 (0.43) IDO1AGXTRECQLHTR2ASLC6A4
SCHEMBL10383999 0.77 CA3 (0.43) IDO1AGXTRECQLHTR2ASLC6A4
SCHEMBL14497956 0.76 RECQL (0.37) IDO1AGXTRECQLHRH4P2RX7
SCHEMBL14485293 0.74 GABRA1 (0.36) IDO1AGXTRECQLHRH4HTR2C
SCHEMBL11914795 0.74 ACE2 (0.41) RECQL
SCHEMBL25625783 0.71 IDO1 (0.39) IDO1AGXTRECQLHRH4HTR2A
SCHEMBL5073292 0.70 SLC6A4 (0.47) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL22867120 0.69 AGBL2 (0.52) RECQL
SCHEMBL12197672 0.68 CYP1A2 (0.39) RECQLHRH4HTR2CHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 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-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP IDO1 1973/4885AGXT 668/4885RECQL 149/4885

“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.