SCHEMBL8526642

SCHEMBL8526642

CC(C)c1ccc2[nH]ccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.41
RHEB Q15382 4/20 0.37
AHR P35869 2/20 0.34
F7 P08709 1/20 0.34
LTA4H P09960 1/20 0.34
F3 P13726 1/20 0.34
NR4A2 P43354 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
SCHEMBL19668854 0.82 P2RX7 (0.35) P2RX7AHR
SCHEMBL16746112 0.78 AHR (0.35) P2RX7RHEBAHR
SCHEMBL27683825 0.77 AHR (0.42) P2RX7RHEBAHRNR4A2
SCHEMBL8529419 0.74 AXL (0.48) P2RX7RHEBAHRF7LTA4H
SCHEMBL28906650 0.74 RHEB (0.40) P2RX7RHEBAHRF7LTA4H
SCHEMBL27051547 0.73 RHEB (0.44) P2RX7RHEBAHRF7LTA4H
SCHEMBL18402851 0.73 P2RX7 (0.41) P2RX7RHEB
SCHEMBL8527598 0.73 P2RX7 (0.39) P2RX7RHEBAHRF7LTA4H
SCHEMBL31038049 0.73 P2RX7 (0.41) P2RX7RHEB
SCHEMBL26773498 0.73 GABRA1 (0.48) P2RX7AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
CN-1129937-A Indoline derivatives as 5HT2C antagonists SMITHKLINE BEECHAM PLC (GB) 1996-08-28 CN disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A P2RX7 395/4885RHEB 2672/4885AHR 3033/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A P2RX7 395/4885RHEB 2672/4885AHR 3033/4885

“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.