SCHEMBL2536837

SCHEMBL2536837

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)NCc1ncco1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.53
OPRL1 P41146 2/20 0.53
NTRK1 P04629 1/20 0.44
NTRK3 Q16288 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 4/20 0.37
MDM2 Q00987 1/20 0.37
KCNK3 O14649 2/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
SCD O00767 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
SCHEMBL2543025 0.81 HPGD (0.53) ALDH1A1MDM2TSHRHTTGAA
SCHEMBL2359650 0.79 NTRK1 (0.47) OPRM1OPRL1NTRK1ALDH1A1MDM2
SCHEMBL2310361 0.76 TP53 (0.57) ALDH1A1TSHRGAAMAPTHPGD
SCHEMBL2538007 0.76 NAMPT (0.45) OPRM1OPRL1ALDH1A1TSHRHPGD
SCHEMBL2313161 0.75 HDAC6 (0.47) ALDH1A1HPGD
SCHEMBL2535979 0.75 MEN1 (0.39) ALDH1A1HPGD
SCHEMBL2544151 0.75 OPRM1 (0.39) OPRM1OPRL1
SCHEMBL2359616 0.74 NAMPT (0.40) OPRM1OPRL1TSHR
SCHEMBL2313205 0.73 EPHX2 (0.50)
SCHEMBL2310569 0.73 CYP2D6 (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D OPRM1 431/4885OPRL1 152/4885NTRK1 3288/4885

“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.