SCHEMBL4465112

SCHEMBL4465112

NCCc1cc(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.40
CRHR1 P34998 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
METAP2 P50579 3/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL4461839 0.92 P2RX7 (0.41) P2RX7CRHR1SMN1; SMN2HPGDMETAP2
SCHEMBL4480315 0.92 P2RX7 (0.41) P2RX7CRHR1SMN1; SMN2HPGDMETAP2
SCHEMBL2169522 0.89 P2RX7 (0.41) P2RX7CRHR1SMN1; SMN2HPGD
SCHEMBL2168116 0.84 P2RX7 (0.40) P2RX7CRHR1SMN1; SMN2HPGDNPC1
SCHEMBL4469827 0.81 P2RX7 (0.39) P2RX7CRHR1SMN1; SMN2HPGD
SCHEMBL4474665 0.80 ROCK2 (0.41) NPC1RAB9A
SCHEMBL4473124 0.80 ROCK2 (0.41) NPC1RAB9A
SCHEMBL4461071 0.79 P2RX7 (0.45) P2RX7CRHR1SMN1; SMN2HPGD
SCHEMBL4465105 0.77 P2RX7 (0.68) P2RX7
SCHEMBL4475069 0.77 HSD17B1 (0.44) P2RX7CRHR1SMN1; SMN2HPGDNPC1

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 7 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
EP-1626962-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2006-02-22 EP disclosed
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor ZOETIS LLC 2005-01-13 US disclosed
WO-2004099146-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-11-18 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 (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 P2RX7 7/4885CRHR1 430/4885SMN1; SMN2 3054/4885
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885CRHR1 430/4885SMN1; SMN2 3054/4885

“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.