SCHEMBL3127652

SCHEMBL3127652

NC(=O)c1cc(OCCCN2CCCCC2)ccc1C(N)C(=O)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.51
BMPR1A P36894 2/20 0.51
TGFBR1 P36897 2/20 0.51
ACVRL1 P37023 2/20 0.51
ACVR1 Q04771 2/20 0.51
HRH3 Q9Y5N1 12/20 0.48
MAOB P27338 5/20 0.47
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL3134058 0.91 BMPR1B (0.51) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3127665 0.74 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3127646 0.73 BMPR1B (0.56) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4502549 0.72 HRH3 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3127658 0.72 MAOB (0.50) HRH3MAOB
SCHEMBL3131412 0.71 MAOB (0.59) HRH3MAOB
Hydrochloric Acid SCHEMBL3127783 0.70 MAOB (0.58) HRH3MAOB
SCHEMBL4499089 0.69 HRH3 (0.65) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4514549 0.69 HRH3 (0.65) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4490295 0.69 HRH3 (0.65) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 BMPR1B 3886/4885BMPR1A 3462/4885TGFBR1 4138/4885

“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.