SCHEMBL20042331

SCHEMBL20042331

CC(C)(C1CCN(C(=O)NC2CCC(F)(F)CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 9/20 0.36
▸ CALCA P06881 6/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL20002014 0.93 CALCA (0.34) CD38CALCAROCK2CYP3A4
SCHEMBL20002241 0.93 CD38 (0.38) CD38CALCAROCK2CYP3A4CNR1
SCHEMBL20042318 0.93 CD38 (0.38) CD38CALCAROCK2CYP3A4CNR1
SCHEMBL20001854 0.91 LMNA (0.39) CD38CALCACYP3A4CNR1
SCHEMBL20001797 0.91 LMNA (0.39) CD38CALCACYP3A4CNR1
SCHEMBL20002546 0.91 LMNA (0.41) CALCACYP3A4CNR1
SCHEMBL20002611 0.90 CD38 (0.36) CD38CALCAROCK2CYP3A4CNR1
SCHEMBL20002349 0.90 CALCA (0.37) CD38CALCACNR1
SCHEMBL20002350 0.89 CNR2 (0.40) CD38CALCAEPHX2
SCHEMBL20002677 0.88 CALCA (0.34) CD38CALCAROCK2CYP3A4SMO

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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 — — US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 — — 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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 CD38 951/4885CALCA 3586/4885ROCK2 2250/4885

“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.

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