SCHEMBL6168988

SCHEMBL6168988

CC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1cccc(F)c1)c1nc(Cl)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.35
CCR1 P32246 3/20 0.34
CHRM2 P08172 1/20 0.34
CCR5 P51681 1/20 0.34
SLC1A1 P43005 2/20 0.32
DPP4 P27487 1/20 0.32
ROCK2 O75116 4/20 0.31
ROCK1 Q13464 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL6165749 0.91 REN (0.36) RENCCR1CHRM2CCR5SLC1A1
SCHEMBL6168253 0.90 CSNK1E (0.37) RENCCR1
SCHEMBL6167138 0.84 F2RL1 (0.36) RENCCR1CHRM2CCR5SLC1A1
SCHEMBL6168256 0.83 CCR1 (0.41) RENCCR1CHRM2CCR5SLC1A1
SCHEMBL6167965 0.81 CSNK1E (0.38) RENCCR1
SCHEMBL6167922 0.77 CCR1 (0.42) RENCCR1CHRM2CCR5SLC1A1
SCHEMBL6168085 0.77 CCR1 (0.42) RENCCR1CHRM2CCR5SLC1A1
SCHEMBL6168984 0.76 CCR1 (0.33) CCR1CHRM2CCR5
SCHEMBL6168667 0.75 CSNK1E (0.39) RENCCR1
SCHEMBL4062779 0.74 CCR1 (0.51) RENCCR1CHRM2CCR5SLC1A1

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-6548671-B2 Treating autoimmune diseases, inflammatory conditions, allergies, infections, viral diseases, bronchitis, transplant tissue rejection, atherosclerosis, restenosis, HIV infectivity, and granulomatous PFIZER INC 2003-04-15 US claimed
EP-1252154-A1 HETEROCYCLIC AMIDE DERIVATIVES Pfizer Products Inc. (US) 2002-10-30 EP claimed
US-20020132810-A1 Novel heterocyclic amide derivatives BROWN MATTHEW F (US) 2002-09-19 US claimed
WO-2001057023-A1 HETEROCYCLIC AMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-08-09 WO claimed
EP-1498417-A1 Heterocyclic amide derivatives Pfizer Products Inc. (US) 2005-01-19 EP disclosed
US-6548671-B2 Treating autoimmune diseases, inflammatory conditions, allergies, infections, viral diseases, bronchitis, transplant tissue rejection, atherosclerosis, restenosis, HIV infectivity, and granulomatous PFIZER INC 2003-04-15 US disclosed
EP-1252154-A1 HETEROCYCLIC AMIDE DERIVATIVES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
US-20020132810-A1 Novel heterocyclic amide derivatives BROWN MATTHEW F (US) 2002-09-19 US disclosed
WO-2001057023-A1 HETEROCYCLIC AMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-08-09 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-20020132810-A1 Novel heterocyclic amide derivatives ARG1, IL4, ARG2 REN 42/4885CCR1 32/4885CHRM2 3307/4885

“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.