SCHEMBL3595458

SCHEMBL3595458

Clc1cccc(-c2cnnn2Cc2ccccc2)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 1.00
TRPA1 O75762 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CDC7 O00311 1/20 0.46
CXCR2 P25025 1/20 0.45
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL27953930 0.89 P2RX7 (0.81) P2RX7TRPA1SIGMAR1CDC7CXCR2
SCHEMBL2895467 0.76 CDC7 (0.61) P2RX7CDC7HDAC3HDAC1HDAC2
SCHEMBL1646429 0.75 P2RX7 (0.60) P2RX7CDC7HDAC3HDAC1HDAC2
SCHEMBL5816280 0.73 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL3594966 0.73 P2RX7 (0.57) P2RX7
SCHEMBL27953888 0.73 P2RX7 (0.58) P2RX7CDC7HDAC3HDAC1HDAC2
SCHEMBL20497362 0.72 CDC7 (0.56) P2RX7CDC7HDAC3HDAC1HDAC2
SCHEMBL3591058 0.71 P2RX7 (1.00) P2RX7TRPA1SIGMAR1CXCR2HDAC1
SCHEMBL25010024 0.70 CDC7 (0.58) P2RX7CDC7HDAC3HDAC1HDAC2
SCHEMBL28809840 0.70 CDC7 (0.58) P2RX7CDC7HDAC3HDAC1HDAC2

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
EP-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 EP claimed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO claimed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 US claimed
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 EP disclosed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 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-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 P2RX7 1/4885TRPA1 102/4885SIGMAR1 297/4885

“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.