SCHEMBL3138341

SCHEMBL3138341

CC(C)NC(=O)CNC(=O)c1cc(OCCCN2CCOCC2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.58
BMPR1B O00238 1/20 0.47
BMPR1A P36894 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVRL1 P37023 1/20 0.47
ACVR1 Q04771 1/20 0.47
AVPR1B P47901 2/20 0.47
PPARG P37231 1/20 0.47
EPHX2 P34913 5/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
SCN1A P35498 1/20 0.45

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
SCHEMBL3134179 0.92 HRH3 (0.54) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3136860 0.91 HRH3 (0.48) HRH3RAB9AALDH1A1
SCHEMBL3134043 0.85 BMPR1B (0.56) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3136843 0.82 SMN1; SMN2 (0.43) HRH3MAPK1ALDH1A1
SCHEMBL3127646 0.77 BMPR1B (0.56) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3132644 0.76 KDM4E (0.44) HRH3
SCHEMBL3130090 0.75 PSMB11 (0.40) MAPK1ALDH1A1
SCHEMBL3130069 0.75 PSMB11 (0.40) MAPK1ALDH1A1
SCHEMBL3133991 0.73 HTR4 (0.39) HRH3MAPK1ALDH1A1
SCHEMBL2461019 0.73 PRKDC (0.43) ALDH1A1

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-7807686-B2 2-(4-oxo-4H-quinazolin-3-yl)acetamides and their use as vasopressin V3 antagonists N.V. ORGANON (NL) 2010-10-05 US disclosed
EP-1861380-B1 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS ORGANON NV (NL) 2010-07-07 EP disclosed
US-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists MERCK SHARP & DOHME B.V. (NL) 2008-09-04 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-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists AVPR2, AVPR1A, AVPR1B HRH3 124/4885BMPR1B 3886/4885BMPR1A 3462/4885

“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.