SCHEMBL4832144

SCHEMBL4832144

CC(=O)C1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
TACR1 P25103 1/20 0.48
STS P08842 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
ACHE P22303 1/20 0.45
LMNA P02545 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL1003119 0.91 OPRD1 (0.52) OPRD1OPRK1TACR1STSGPR119
SCHEMBL8512562 0.89 OPRD1 (0.53) OPRD1OPRK1TACR1STSGPR119
SCHEMBL8876877 0.88 MEN1 (0.51) STSLMNASMN1; SMN2
SCHEMBL1002715 0.88 PKM (0.55) OPRD1OPRK1TACR1STSGPR119
SCHEMBL4369133 0.86 TSHR (0.49) OPRD1OPRK1TACR1STSGPR119
SCHEMBL28818611 0.86 OPRD1 (0.47) OPRD1OPRK1TACR1STSGPR119
SCHEMBL28818534 0.86 OPRD1 (0.47) OPRD1OPRK1TACR1STSGPR119
SCHEMBL4326509 0.85 LMNA (0.51) OPRD1OPRK1TACR1STSLMNA
SCHEMBL965515 0.85 LMNA (0.62) KDM4ELMNAGAASMN1; SMN2
SCHEMBL12195183 0.84 KEAP1 (0.52) OPRD1OPRK1STSGPR119TSHR

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-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 OPRD1 550/4885OPRK1 268/4885TACR1 19/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 OPRD1 550/4885OPRK1 268/4885TACR1 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.