SCHEMBL4828228

SCHEMBL4828228

Cc1cc(Nc2cc(Cl)cc(OCCC3CC(C(=O)O)(c4ccccc4)CCN3)c2)c2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 2/20 0.38
GUSB P08236 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
IGF1R P08069 3/20 0.35
ADAM17 P78536 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
POLB P06746 1/20 0.34
OPRK1 P41145 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
SCHEMBL4829906 0.81 UTS2R (0.43) NPC1KDM4EHTTGUSBMAPT
SCHEMBL4832111 0.81 NPC1 (0.39) NPC1KDM4EHTTGUSBMAPT
SCHEMBL4832115 0.76 OPRM1 (0.49) MAPTLMNAPOLBOPRK1
SCHEMBL4832560 0.74 TSHR (0.55) NPC1KDM4EHTTGUSBMAPT
SCHEMBL4828224 0.72 KDR (0.42) NPC1KDM4EHTTGUSBMAPT
SCHEMBL4824981 0.72 UTS2R (0.43) NPC1KDM4EHTTGUSBMAPT
SCHEMBL14279614 0.72 UTS2R (0.43) NPC1KDM4EHTTGUSBMAPT
SCHEMBL14279613 0.70 TSHR (0.52) NPC1KDM4EHTTGUSBMAPT
SCHEMBL14279645 0.70 TSHR (0.51) NPC1KDM4EHTTGUSBMAPT
SCHEMBL4829903 0.70 DRD2 (0.42) NPC1KDM4EHTTGUSBMAPT

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-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-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 NPC1 1830/4885KDM4E 4818/4885HTT 1829/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NPC1 1830/4885KDM4E 4818/4885HTT 1829/4885

“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.