SCHEMBL2914196

SCHEMBL2914196

CCC(CC)N1CCC(N(C)C(=O)Cc2ccc(N(C)C)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.48
CCR5 P51681 16/20 0.47
KCNH2 Q12809 1/20 0.43

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 SCHEMBL2915303 0.99 HRH3 (0.58) HRH3PTGDR2CCR5KCNH2
SCHEMBL2915670 0.86 CCR5 (0.62) HRH3CCR5KCNH2
Hydrochloric Acid SCHEMBL2916284 0.85 CCR5 (0.61) HRH3CCR5KCNH2
SCHEMBL2909766 0.81 CCR5 (0.51) PTGDR2CCR5KCNH2
Hydrochloric Acid SCHEMBL2918113 0.81 CCR5 (0.50) PTGDR2CCR5KCNH2
SCHEMBL2914514 0.76 HRH3 (0.58) HRH3CCR5KCNH2
Hydrochloric Acid SCHEMBL2918916 0.75 HRH3 (0.59) HRH3CCR5KCNH2
SCHEMBL2910485 0.74 CCR5 (0.65) HRH3CCR5KCNH2
Hydrochloric Acid SCHEMBL2917628 0.74 CCR5 (0.64) HRH3CCR5KCNH2
SCHEMBL2916843 0.74 CCR5 (0.57) HRH3PTGDR2CCR5KCNH2

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 5 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
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 HRH3 1/4885PTGDR2 79/4885CCR5 1186/4885

“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.