SCHEMBL6213337

SCHEMBL6213337

NCc1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.73
ALDH1A1 P00352 3/20 0.60
USP28 Q96RU2 1/20 0.60
USP25 Q9UHP3 1/20 0.60
RAB9A P51151 1/20 0.60
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 3/20 0.55
PTGER1 P34995 2/20 0.52
SLC6A4 P31645 1/20 0.51
MAOB P27338 1/20 0.50

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
Bromide SCHEMBL8810240 0.98 CCR5 (0.71) CCR5ALDH1A1USP28USP25RAB9A
Hydrochloric Acid SCHEMBL7809482 0.98 CCR5 (0.71) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL6260325 0.88 CCR5 (0.59) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL561347 0.85 CCR5 (0.68) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL30353418 0.85 CCR5 (0.68) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL15196646 0.85 CCR5 (0.63) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL5699914 0.84 CCR5 (1.00) CCR5
SCHEMBL8406943 0.84 HTR1A (0.65) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL16293746 0.84 CCR5 (0.62) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL3724781 0.84 CCR5 (0.66) CCR5ALDH1A1USP28USP25RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
CN-1114598-C Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 2003-07-16 CN disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
CN-1085663-C Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2002-05-29 CN disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 WO disclosed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 CN disclosed
CN-1193966-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN disclosed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN disclosed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 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 (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-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 CCR5 2406/4885ALDH1A1 1085/4885USP28 4262/4885

“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.