SCHEMBL3040341

SCHEMBL3040341

COc1ccc2c(c1)CC(NCc1ccc(-c3ccc4[nH]cnc4c3)cc1)C2OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.34
QPCT Q16769 1/20 0.34
CNR1 P21554 2/20 0.33
SMO Q99835 1/20 0.33
SSTR3 P32745 1/20 0.33
POLB P06746 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
NQO2 P16083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL3044091 0.90 QPCT (0.39) HSD11B1QPCTQPCTL
SCHEMBL3050325 0.88 HSD11B1 (0.33) HSD11B1QPCT
SCHEMBL3052845 0.86 QPCT (0.35) HSD11B1QPCTPOLBCCR2
Trifluoroacetic Acid SCHEMBL3040336 0.80 SMO (0.44) QPCTSMOMTNR1AMTNR1B
SCHEMBL3050607 0.79 HSD11B1 (0.33) HSD11B1QPCT
SCHEMBL3048636 0.77 HSD11B1 (0.33) HSD11B1QPCT
SCHEMBL3043808 0.77 POLB (0.33) HSD11B1QPCTPOLB
SCHEMBL1875561 0.76 HSD11B1 (0.33) HSD11B1QPCT
SCHEMBL1874617 0.76 QPCT (0.34) HSD11B1QPCT
Hydrochloric Acid SCHEMBL3034632 0.75 ABCB1 (0.34) HSD11B1QPCT

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 HSD11B1 1860/4885QPCT 1796/4885CNR1 19/4885

“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.