SCHEMBL3591058

SCHEMBL3591058

Clc1cccc(-c2ncnn2Cc2ccccc2)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 1.00
TRPA1 O75762 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
DGAT1 O75907 1/20 0.45
CXCR2 P25025 1/20 0.45

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
SCHEMBL5816280 0.77 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL25415200 0.72 SMN1; SMN2 (0.57) P2RX7NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL12597163 0.71 NPC1 (0.56) P2RX7NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL3595866 0.71 P2RX7 (1.00) P2RX7
SCHEMBL3595458 0.71 P2RX7 (1.00) P2RX7TRPA1SIGMAR1HDAC1HDAC6
SCHEMBL5815652 0.68 P2RX7 (0.78) P2RX7TRPA1SIGMAR1
SCHEMBL16014717 0.67 SMN1; SMN2 (0.56) P2RX7NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL11291541 0.67 SMN1; SMN2 (0.56) P2RX7NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL16014774 0.67 SMN1; SMN2 (0.56) P2RX7NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL10771614 0.67 SMN1; SMN2 (0.56) P2RX7NPC1RAB9ASMN1; SMN2HDAC1

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.