SCHEMBL4832353

SCHEMBL4832353

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
TACR1 P25103 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
STS P08842 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ACHE P22303 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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 0.85 OPRD1 (0.52) OPRD1OPRK1TACR1STSTSHR
SCHEMBL1002715 0.84 PKM (0.55) OPRD1OPRK1TACR1STSTSHR
SCHEMBL4832144 0.83 OPRD1 (0.51) OPRD1OPRK1TACR1STSTSHR
SCHEMBL8512562 0.82 OPRD1 (0.53) OPRD1OPRK1TACR1JAK2JAK1
SCHEMBL4372097 0.82 TSHR (0.47) OPRD1OPRK1TACR1JAK2JAK1
SCHEMBL16987667 0.81 USP2 (0.41) GPR119PKM
SCHEMBL7304756 0.81 TSHR (0.57) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL4369133 0.81 TSHR (0.49) OPRD1OPRK1TACR1JAK2JAK1
SCHEMBL28818534 0.80 OPRD1 (0.47) OPRD1OPRK1TACR1JAK2JAK1
SCHEMBL28818611 0.80 OPRD1 (0.47) OPRD1OPRK1TACR1JAK2JAK1

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.