SCHEMBL4506500

SCHEMBL4506500

CC(c1ccccc1)N1CC2CC2(CN)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
MC4R P32245 1/20 0.41
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
CCR5 P51681 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
MAOB P27338 2/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL22778640 0.76
Ammonia Solution, Strong SCHEMBL4506501 0.76 CYP2D6 (0.50) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL7497961 0.75 CYP2D6 (0.40) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL7499099 0.75 CYP2D6 (0.40) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL4505507 0.73 UTS2R (0.39) KMT2A
SCHEMBL6007971 0.71 CYP2D6 (0.45) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL4509208 0.71 CYP2D6 (0.45) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL6007692 0.71 CYP2D6 (0.45) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL22855892 0.71 CYP2D6 (0.47) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL29598433 0.71 CYP2D6 (0.47) CYP2D6MC4ROPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 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 (2 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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 CYP2D6 730/4885MC4R 3547/4885OPRM1 1123/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS CYP2D6 694/4885MC4R 3559/4885OPRM1 1140/4885

“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.