SCHEMBL4465053

SCHEMBL4465053

O=C(NC(c1ccccc1)C1CCCCC1)c1cc(-c2cc(C3CC3)n(C3CNC3)n2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
RIPK1 Q13546 1/20 0.35
PDE2A O00408 1/20 0.35
AKT1 P31749 1/20 0.35
SLC6A9 P48067 1/20 0.35
CYP3A4 P08684 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL4462108 0.83 KDM4E (0.41) MAPK1KMT2ARIPK1P2RX7
SCHEMBL4465046 0.78 P2RX7 (0.47) P2RX7
SCHEMBL4473069 0.76 P2RX7 (0.44) CNR1CNR2P2RX7
SCHEMBL4472185 0.71 SMYD3 (0.41) SMYD3MEN1ALDH1A1MAPK1KMT2A
SCHEMBL2181635 0.71 HSD17B1 (0.48) CNR1CNR2MEN1ALDH1A1MAPK1
SCHEMBL4469462 0.71 P2RX7 (0.36) CNR1CNR2P2RX7
SCHEMBL4462252 0.71 P2RX7 (0.43) MAPK1KMT2ARIPK1P2RX7
SCHEMBL4462246 0.69 P2RX7 (0.42) CNR1CNR2P2RX7
SCHEMBL2167517 0.69 P2RX7 (0.55) CNR2MEN1KMT2AAKT1P2RX7
SCHEMBL1412926 0.67 P2RX7 (0.64) SMYD3MEN1ALDH1A1MAPK1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553972-B2 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2009-06-30 US disclosed
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER INC. 2007-06-21 US disclosed
US-7186742-B2 Benzamide inhibitors of the P2X7 receptor PFIZER INC (US) 2007-03-06 US disclosed
EP-1626962-B1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PROD INC (US) 2007-02-28 EP disclosed
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor ZOETIS LLC 2005-01-13 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 (2 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-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor IL1R1, P2RY1, P2RX1 SMYD3 4433/4885CNR1 62/4885CNR2 117/4885
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 SMYD3 4433/4885CNR1 62/4885CNR2 117/4885

“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.