SCHEMBL3133689

SCHEMBL3133689

Nc1ccc(O)cc1C(=O)NCC(=O)NCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.52
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
HTR4 Q13639 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MLLT1 Q03111 1/20 0.39

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
SCHEMBL3122618 0.81 CCR2 (0.52) CCR2NPC1ALDH1A1
SCHEMBL3132018 0.79 CCR2 (0.46) CCR2F10PRSS1CNR1CNR2
SCHEMBL4848105 0.78 CCR2 (0.48) CCR2F10PRSS1HTR4
SCHEMBL4845927 0.78 CHRM1 (0.58) CCR2HTR4
SCHEMBL3132946 0.77 KDM4E (0.43) CCR2F10KDM4EALDH1A1GAA
SCHEMBL3136519 0.77 LMNA (0.49) CCR2KDM4EALDH1A1GAAHSD17B10
SCHEMBL3130252 0.77 CCR2 (0.45) CCR2
SCHEMBL3133676 0.77 PYGL (0.47) CCR2KDM4EALDH1A1GAAHSD17B10
SCHEMBL3132663 0.76 NSD2 (0.49) NPC1KDM4EALDH1A1GAAHSD17B10
SCHEMBL17774898 0.76 NAAA (0.42) CCR2KDM4EALDH1A1GAAHSD17B10

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 CCR2 1973/4885F10 1487/4885PRSS1 2095/4885

“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.