SCHEMBL5236286

SCHEMBL5236286

O=C[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.57
ROCK2 O75116 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CHRM4 P08173 1/20 0.41
FUCA1 P04066 2/20 0.41
FAAH O00519 1/20 0.40
MAOB P27338 1/20 0.40
RORC P51449 1/20 0.40
POLB P06746 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
SCHEMBL5274170 1.00 CCR5 (0.57) CCR5ROCK2DRD2DRD3KMT2A
SCHEMBL5266055 0.87 CCR5 (0.50) CCR5DRD2DRD3SIGMAR1FUCA1
SCHEMBL14224261 0.87 CCR5 (0.50) CCR5DRD2DRD3SIGMAR1FUCA1
SCHEMBL7827978 0.87 CCR5 (0.50) CCR5DRD2DRD3SIGMAR1FUCA1
SCHEMBL4105592 0.87 CCR5 (0.50) CCR5DRD2DRD3SIGMAR1FUCA1
SCHEMBL7817702 0.87 CCR5 (0.50) CCR5DRD2DRD3SIGMAR1FUCA1
SCHEMBL3646250 0.85 CCR5 (0.42) CCR5DRD2DRD3SIGMAR1FUCA1
SCHEMBL6902319 0.85 CCR5 (0.42) CCR5DRD2DRD3SIGMAR1FUCA1
SCHEMBL1713447 0.85 CCR5 (0.42) CCR5DRD2DRD3SIGMAR1FUCA1
SCHEMBL6904062 0.83 DRD4 (0.41) CCR5DRD2DRD3SIGMAR1FUCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831210-A1 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES WITH AN ACTIVITY ON CHEMOKINE CCR5 RECEPTORS Pfizer Limited (GB) 2007-09-12 EP disclosed
US-7125887-B2 Pyrrolidine modulators of CCR5 chemokine receptor activity MERCK & CO., INC. (US) 2006-10-24 US disclosed
WO-2006067584-A1 8-AZA-BICYCLO (3.2.1) OCTANE DERIVATIVES WITH AN ACTIVITY ON CHEMOKINE CCR5 RECEPTORS PFIZER LIMITED (GB) 2006-06-29 WO disclosed
US-20040087552-A1 Pyrrolidine modulators of ccr5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2004-05-06 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-20040087552-A1 Pyrrolidine modulators of ccr5 chemokine receptor activity CCR5, CCR1, CXCR1 CCR5 1/4885ROCK2 1987/4885DRD2 332/4885

“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.