SCHEMBL3229223

SCHEMBL3229223

FC(F)(F)c1ccc2c(c1)OCC21CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.53
TDO2 P48775 10/20 0.53
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
S1PR5 Q9H228 3/20 0.44
USP2 O75604 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
OPRL1 P41146 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL3216524 0.91 GAA (0.45) IDO1TDO2CYP2C9POLBGAA
SCHEMBL21138418 0.89 IDO1 (0.54) IDO1TDO2CYP2C9POLBGAA
SCHEMBL3217199 0.82 SIGMAR1 (0.51) CYP2C9CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21138417 0.80 IDO1 (0.52) IDO1TDO2CYP2C9S1PR5CYP3A4
SCHEMBL325979 0.79 S1PR5 (0.68) S1PR5S1PR1S1PR3
SCHEMBL21138094 0.76 ALDH1A1 (0.44) IDO1TDO2CYP2C9POLBGAA
SCHEMBL18657304 0.75 SIGMAR1 (0.60) CYP2C9POLBS1PR5CYP1A2CYP3A4
SCHEMBL10265035 0.75 S1PR5 (0.50) CYP2C9S1PR5CYP1A2CYP3A4CYP2D6
SCHEMBL325502 0.75 SIGMAR1 (0.58) CYP2C9S1PR5CYP1A2CYP3A4CYP2D6
SCHEMBL325591 0.75 S1PR5 (0.50) CYP2C9S1PR5CYP1A2CYP3A4CYP2D6

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-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 IDO1 3254/4885TDO2 4052/4885CYP2C9 251/4885

“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.