SCHEMBL6841896

SCHEMBL6841896

CC(C)N1CCC(N(C)C(=O)C(c2ccc(-c3ccc(F)cc3)cc2)C(C(=O)N(C)C2CCN(C(C)C)C2)c2ccc(-c3cccc(F)c3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.43
DPP7 Q9UHL4 6/20 0.43
KCNH2 Q12809 4/20 0.43
DPP9 Q86TI2 3/20 0.43
HRH3 Q9Y5N1 4/20 0.43
MCHR1 Q99705 1/20 0.40
DPP8 Q6V1X1 4/20 0.40
MAP4K4 O95819 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
MC4R P32245 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL6841895 0.83 CCR5 (0.53) KCNH2HRH3PTGDR2CCR5
SCHEMBL2909495 0.81 CCR5 (0.53) KCNH2HRH3LMNASMN1; SMN2PTGDR2
SCHEMBL2916843 0.75 CCR5 (0.57) KCNH2HRH3PTGDR2CCR5
SCHEMBL2916232 0.72 CCR5 (0.52) KCNH2HRH3MCHR1PTGDR2CCR5
SCHEMBL2910485 0.69 CCR5 (0.65) KCNH2HRH3CCR5
SCHEMBL23502083 0.68 HRH3 (0.46) DPP4KCNH2DPP9HRH3MCHR1
SCHEMBL13934302 0.68 HRH3 (0.46) DPP4KCNH2DPP9HRH3MCHR1
Hydrochloric Acid SCHEMBL2917628 0.68 CCR5 (0.64) KCNH2HRH3CCR5
SCHEMBL2909484 0.65 CCR5 (0.55) KCNH2HRH3PTGDR2CCR5
Hydrochloric Acid SCHEMBL2916236 0.65 CCR5 (0.55) KCNH2HRH3PTGDR2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DPP4 1556/4885DPP7 1571/4885KCNH2 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.