SCHEMBL6790944

SCHEMBL6790944

CC(C)C1CC(N)CCN1Cc1cnccc1OCCF

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
S1PR1 P21453 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL6175099 0.91 NPSR1 (0.32) MAPTGSK3B
SCHEMBL6173163 0.85 GSK3A (0.33) GSK3B
SCHEMBL6171710 0.84 DPP4 (0.34) GSK3B
SCHEMBL2494653 0.72 HTR1A (0.38) MAPTKCNH2
SCHEMBL2494359 0.62 KDM4E (0.41) MAPTKCNH2
SCHEMBL27644587 0.62 GAA (0.54) MAPT
SCHEMBL27643123 0.57 GNAI3 (0.39)
SCHEMBL2495479 0.56 KMT2A (0.44)
SCHEMBL2494814 0.56 SSTR4 (0.37) KCNH2
SCHEMBL2494741 0.56 EPHX2 (0.40) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122014-A1 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects THERAVANCE BIOPHARMA R&D IP, LLC 2004-06-24 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-20040122014-A1 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects CHRM2, CHRM1, CHRM3 MAPT 3546/4885S1PR1 145/4885KCNH2 421/4885

“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.