SCHEMBL4461695

SCHEMBL4461695

Cc1cc(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)n(CC(O)CO)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.41
CNR2 P34972 5/20 0.41
CRHR1 P34998 3/20 0.38
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
NCOR2 Q9Y618 3/20 0.37
SMYD3 Q9H7B4 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
SCHEMBL4461741 0.92 P2RX7 (0.50) P2RX7CNR2CRHR1KCNJ6KCNJ5
SCHEMBL4479948 0.89 CNR2 (0.42) P2RX7CNR2CRHR1KCNJ6KCNJ5
SCHEMBL2180874 0.86 P2RX7 (0.57) P2RX7CNR2CRHR1HDAC3HDAC4
SCHEMBL13472679 0.80 P2RX7 (0.65) P2RX7
SCHEMBL4461685 0.80 P2RX7 (0.65) P2RX7
SCHEMBL4462526 0.78 P2RX7 (0.67) P2RX7CNR2CRHR1HDAC3HDAC4
SCHEMBL4461796 0.78 P2RX7 (0.47) P2RX7CNR2
Hydrochloric Acid SCHEMBL4463402 0.78 P2RX7 (0.68) P2RX7CNR2CRHR1HDAC3HDAC4
SCHEMBL4480019 0.77 P2RX7 (0.55) P2RX7CNR2CRHR1
SCHEMBL2180488 0.77 P2RX7 (0.50) P2RX7CNR2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1837330-B1 Benzamide inhibitors of the P2X7 receptor PFIZER PROD INC (US) 2012-10-24 EP claimed
EP-1837330-A1 Benzamide inhibitors of the P2X7 receptor Pfizer Products Inc. (US) 2007-09-26 EP claimed
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER INC. 2007-06-21 US claimed
EP-1837330-B1 Benzamide inhibitors of the P2X7 receptor PFIZER PROD INC (US) 2012-10-24 EP disclosed
US-7553972-B2 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2009-06-30 US disclosed
EP-1837330-A1 Benzamide inhibitors of the P2X7 receptor Pfizer Products Inc. (US) 2007-09-26 EP 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 P2RX7 7/4885CNR2 117/4885CRHR1 430/4885
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885CNR2 117/4885CRHR1 430/4885

“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.