SCHEMBL3060343

SCHEMBL3060343

O=C(O)[C@@H]1C[C@](O)(c2ccccc2)CN1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
GRIN2B Q13224 5/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
OPRK1 P41145 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CCR2 P41597 1/20 0.36
CTSC P53634 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL10576425 1.00 F2 (0.44) F2GRM2GRM3CYP1A2ALOX15
SCHEMBL7864750 1.00 F2 (0.44) F2GRM2GRM3CYP1A2ALOX15
SCHEMBL10219312 0.91 CHRNA1 (0.40) F2GRM2GRM3CYP1A2ALOX15
SCHEMBL12166535 0.87 F2 (0.47) F2GRM2GRM3CYP1A2ALOX15
SCHEMBL10995985 0.85 CCR2 (0.41) F2GRM2GRM3CYP1A2ALOX15
SCHEMBL10987696 0.84 MEN1 (0.46) GRIN2BOPRM1OPRL1GAA
SCHEMBL10995445 0.84 CCR2 (0.45) GRM2GRM3CYP1A2ALOX15GRIN2B
SCHEMBL10991010 0.84 SLC6A4 (0.43) GRM2GRM3CYP1A2ALOX15
SCHEMBL10994563 0.82 P2RY14 (0.42) GRM2GRM3CYP1A2ALOX15OPRM1
SCHEMBL10996128 0.80 GRM2 (0.38) F2GRM2GRM3CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4851514-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, REACTING CERIUM TRICHLORIDE WITH PHENYLLITHIUM TO PRODUCE TRIPHENYL CERIUM E. R. SQUIBB & SONS, INC. (US) 1989-07-25 US claimed
US-4734508-A GRIGNARD REACTION WITH TRIPHENYLCERIUM E. R. SQUIBB & SONS, INC. (US) 1988-03-29 US claimed
US-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-08 US disclosed
US-4851514-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, REACTING CERIUM TRICHLORIDE WITH PHENYLLITHIUM TO PRODUCE TRIPHENYL CERIUM E. R. SQUIBB & SONS, INC. (US) 1989-07-25 US disclosed
US-4734508-A GRIGNARD REACTION WITH TRIPHENYLCERIUM E. R. SQUIBB & SONS, INC. (US) 1988-03-29 US disclosed
US-4499287-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-12 US disclosed
US-4456761-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-26 US disclosed
US-4356182-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-10-26 US disclosed
US-4291040-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-09-22 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-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease RNASE1, GTF3C3, CTRL F2 737/4885GRM2 4839/4885GRM3 4105/4885

“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.