SCHEMBL3278422

SCHEMBL3278422

CCOC(=O)N1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
HRH3 Q9Y5N1 1/20 0.54
OPRD1 P41143 2/20 0.53
APP P05067 3/20 0.53
ALDH1A1 P00352 1/20 0.53
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
OPRM1 P35372 2/20 0.51
OPRK1 P41145 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
CHRM4 P08173 1/20 0.48

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
SCHEMBL8824367 0.89 OPRD1 (0.53) CA12CA1CA2CA9HRH3
SCHEMBL16639869 0.87 OPRM1 (0.56) CA12CA1CA2CA9HRH3
SCHEMBL6247236 0.84 APP (0.59) APPALDH1A1MAPTTSHR
SCHEMBL20066073 0.84 CYP2D6 (0.49) HRH3OPRD1ALDH1A1MAPTCHRM4
SCHEMBL2529921 0.83 CA12 (0.54) CA12CA1CA2CA9HRH3
SCHEMBL13183065 0.83 CA12 (0.54) CA12CA1CA2CA9HRH3
SCHEMBL20066008 0.82 CYP2D6 (0.48) HRH3ALDH1A1MAPTCHRM4
SCHEMBL14031243 0.81 CA12 (0.62) CA12CA1CA2CA9HRH3
SCHEMBL21581202 0.81 OPRD1 (0.63) OPRD1APPOPRM1OPRK1MAPT
SCHEMBL20066079 0.81 CYP2D6 (0.49) CA12CA1CA2CA9HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700587-B2 Haloperidol analogs FLORIDA A&M UNIVERSITY (US) 2010-04-20 US disclosed
WO-2007053145-A1 HALOPERIDOL ANALOGS FLORIDA A & M UNIVERSITY (US) 2007-05-10 WO disclosed
US-20060052363-A1 which are incapable of metabolizing to BCPP+ like species, and have affinity for D2 receptor subtype and functions as dopamine receptor antagonist NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-09 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-20060052363-A1 which are incapable of metabolizing to BCPP+ like species, and have affinity for D2 receptor subtype and functions as dopamine receptor antagonist DBH, TACR1, PRLHR CA12 1140/4885CA1 939/4885CA2 1062/4885

“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.