SCHEMBL3134067

SCHEMBL3134067

NC(=O)c1cc(OCCCN2CCOCC2)ccc1CC(=O)N(N)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.48
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44

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
SCHEMBL3127658 0.90 MAOB (0.50) HRH3ALDH1A1KCNH2KDM4E
SCHEMBL3134058 0.73 BMPR1B (0.51) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29973108 0.71 HRH3 (0.69) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL28678935 0.71 MAOB (0.65) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL3134088 0.70 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL13152688 0.70 HRH3 (0.56) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL4256813 0.69 EPHX2 (0.61) ALDH1A1HTR2AEPHX2KDM4EHTT
SCHEMBL28683582 0.69 HRH3 (0.62) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL30805660 0.68 HRH3 (0.64) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL27896953 0.68 HRH3 (0.76) HRH3MAPK1ALDH1A1CYP1A2CHRM2

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 124/4885MAPK1 3105/4885ALDH1A1 1928/4885

“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.