SCHEMBL3763337

SCHEMBL3763337

CC(CCN)N1CCC(NC(CO)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.39
KCNH2 Q12809 1/20 0.39
ROCK2 O75116 1/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
RIPK1 Q13546 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR88 Q9GZN0 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37

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
Ammonia Solution, Strong SCHEMBL3761911 0.80 HTR1A (0.36) CCR5KCNH2GAA
Ammonia Solution, Strong SCHEMBL3761913 0.80 HTR1A (0.36) CCR5KCNH2GAA
SCHEMBL3757466 0.78 CCR5 (0.41) CCR5KCNH2GPR88
SCHEMBL20144687 0.74 GAA (0.56) GAAL3MBTL1MGAMSI
SCHEMBL20144711 0.72 GAA (0.54) GAAL3MBTL1MGAMSI
SCHEMBL10625060 0.70 GAA (0.51) GAAL3MBTL1
SCHEMBL8084473 0.70 SOS1 (0.53) HTR1DHTR1BRIPK1GAAL3MBTL1
SCHEMBL5576143 0.70 ALDH1A1 (0.55) L3MBTL1
SCHEMBL4597864 0.70 ALDH1A1 (0.55) L3MBTL1
SCHEMBL6505071 0.70 ALDH1A1 (0.55) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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 (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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CCR5 1/4885KCNH2 4679/4885ROCK2 1226/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885KCNH2 4679/4885ROCK2 1226/4885

“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.