SCHEMBL2910485

SCHEMBL2910485

CC(C)N1CCC(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.65
HRH3 Q9Y5N1 3/20 0.50
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL2917628 0.99 CCR5 (0.64) CCR5HRH3KCNH2
SCHEMBL2909666 0.93 CCR5 (0.60) CCR5HRH3KCNH2
SCHEMBL3038072 0.93 CCR5 (0.67) CCR5HRH3KCNH2
Hydrochloric Acid SCHEMBL2910989 0.92 CCR5 (0.59) CCR5HRH3KCNH2
Hydrochloric Acid SCHEMBL3049602 0.92 CCR5 (0.66) CCR5HRH3KCNH2
SCHEMBL2916843 0.90 CCR5 (0.57) CCR5HRH3KCNH2
SCHEMBL2909495 0.89 CCR5 (0.53) CCR5HRH3KCNH2
SCHEMBL2915670 0.89 CCR5 (0.62) CCR5HRH3KCNH2
Hydrochloric Acid SCHEMBL2916284 0.88 CCR5 (0.61) CCR5HRH3KCNH2
SCHEMBL6841895 0.88 CCR5 (0.53) CCR5HRH3KCNH2

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-1430027-B1 NOVEL AMINOAZETIDINE, -PYRROLIDINE AND -PIPERIDINE DERIVATIVES HIGH POINT PHARMACEUTICALS LLC (US) 2010-09-01 EP claimed
EP-1430027-B1 NOVEL AMINOAZETIDINE, -PYRROLIDINE AND -PIPERIDINE DERIVATIVES HIGH POINT PHARMACEUTICALS LLC (US) 2010-09-01 EP disclosed
US-6673829-B2 TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, THE PERIPHERAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM, THE PULMONARY SYSTEM, THE GASTROINTESTINAL SYSTEM AND THE ENDOCRINOLOGICAL SYSTEM. NOVO NORDISK A/S (DK) 2004-01-06 US disclosed
US-20030130253-A1 Novel aminoazetidine,-pyrrolidine and -piperidine derivatives VTVX HOLDINGS II LLC 2003-07-10 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-20030130253-A1 Novel aminoazetidine,-pyrrolidine and -piperidine derivatives HRH3, HRH1, HRH2 CCR5 1186/4885HRH3 1/4885KCNH2 625/4885

“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.