SCHEMBL3133991

SCHEMBL3133991

CC(C)NC(=O)CNC(=O)c1cc(N(C)CCCN2CCCCC2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.39
HTR7 P34969 3/20 0.38
HRH3 Q9Y5N1 5/20 0.36
CCR2 P41597 3/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 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
SCHEMBL3133214 0.82 CCR2 (0.44) HTR4HRH3CCR2ALDH1A1ALOX15
SCHEMBL3134179 0.81 HRH3 (0.54) HRH3MAPT
SCHEMBL3132644 0.80 KDM4E (0.44) HTR4HRH3CCR2
SCHEMBL2462443 0.75 CCR2 (0.39) HTR4CCR2
SCHEMBL3136860 0.74 HRH3 (0.48) HRH3ALDH1A1
SCHEMBL3138341 0.73 HRH3 (0.58) HRH3ALDH1A1MAPK1
SCHEMBL2463213 0.72 IP6K1 (0.42) CCR2
SCHEMBL2456820 0.72 CCR2 (0.40) HTR4CCR2ACHE
SCHEMBL2458700 0.72 SIRT6 (0.46) MAPK1MAPT
SCHEMBL3131265 0.71 ALOX5 (0.41) CCR2

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 HTR4 62/4885HTR7 253/4885HRH3 124/4885

“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.