SCHEMBL4309714

SCHEMBL4309714

CCC1(c2ccccc2)COC(=O)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.42
CYP2C19 P33261 3/20 0.42
NPSR1 Q6W5P4 1/20 0.40
CTSG P08311 1/20 0.39
PRTN3 P24158 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
APEX1 P27695 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
HSD11B1 P28845 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4309775 0.77 SMN1; SMN2 (0.37) ELANECYP2C19CTSGPRTN3OPRM1
SCHEMBL17446141 0.77 GSK3A (0.45) ELANECTSGPRTN3OPRL1POLB
SCHEMBL4329563 0.73 CHRM2 (0.36) ELANENPSR1CTSGPRTN3OPRL1
SCHEMBL4322743 0.69 CYP2C9 (0.38) ELANECYP2C19NPSR1CTSGPRTN3
SCHEMBL4319672 0.69 OPRM1 (0.37) ELANECYP2C19CTSGPRTN3OPRM1
SCHEMBL8475159 0.68 TSHR (0.36) OPRL1GAAPOLBTSHRALDH1A1
SCHEMBL10994478 0.66 GAA (0.47) ELANECYP2C19CTSGPRTN3OPRM1
SCHEMBL4575028 0.65 ALDH1A1 (0.41) OPRM1GAAALDH1A1CHRM2CHRM3
SCHEMBL28316609 0.65 ELANE (0.44) ELANECYP2C19NPSR1GAAMEN1
SCHEMBL8475167 0.65 GAA (0.36) CYP2C19GAACYP1A2TSHRALDH1A1

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 ELANE 1155/4885CYP2C19 7/4885NPSR1 1096/4885

“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.