SCHEMBL3133214

SCHEMBL3133214

COc1ccc(CN(CCCN2CCCCC2)c2ccc(N)c(C(=O)NCC(=O)NC(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.44
CYP2D6 P10635 1/20 0.40
HTR4 Q13639 2/20 0.39
ACHE P22303 2/20 0.39
F2R P25116 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MMP3 P08254 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
AVPR1B P47901 1/20 0.37

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
SCHEMBL8261228 0.89 HPGD (0.39) CYP2D6ACHEF2RSIGMAR1POLB
SCHEMBL3133991 0.82 HTR4 (0.39) CCR2HTR4ACHEMAPTALDH1A1
SCHEMBL3134179 0.79 HRH3 (0.54) POLBMAPTHRH1HRH3
SCHEMBL3132644 0.73 KDM4E (0.44) CCR2HTR4HRH3
SCHEMBL3136860 0.73 HRH3 (0.48) DRD3ALDH1A1HRH1HRH3
SCHEMBL3138341 0.71 HRH3 (0.58) SIGMAR1ALDH1A1HRH3AVPR1B
SCHEMBL2462443 0.68 CCR2 (0.39) CCR2HTR4DRD2DRD3
SCHEMBL6890206 0.66 ALDH1A1 (0.40) CCR2MAPTALDH1A1ALOX15
SCHEMBL3136843 0.66 SMN1; SMN2 (0.43) CCR2ALDH1A1HRH3
SCHEMBL2456820 0.66 CCR2 (0.40) CCR2HTR4ACHE

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 11 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
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
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
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
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
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
EP-1861380-A1 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. Organon (NL) 2007-12-05 EP disclosed
WO-2006095014-A1 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. ORGANON (NL) 2006-09-14 WO disclosed
WO-2006095014-A1 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. ORGANON (NL) 2006-09-14 WO 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 CCR2 1973/4885CYP2D6 2041/4885HTR4 62/4885

“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.