SCHEMBL4189073

SCHEMBL4189073

O=C(OC1C2CC[C@H]1N(CC1CCCCC1)C2)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CHRM2 P08172 7/20 0.48
CHRM3 P20309 7/20 0.48
CHRM1 P11229 6/20 0.48
HTT P42858 1/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
HTR2B P41595 2/20 0.45
KCNH2 Q12809 2/20 0.45
HRH1 P35367 1/20 0.45
POLB P06746 1/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
ABCB11 O95342 1/20 0.45

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
SCHEMBL4176964 0.87 ALDH1A1 (0.51) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2
SCHEMBL4985771 0.83 CYP1A2 (0.59) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2
SCHEMBL4985765 0.83 CYP1A2 (0.59) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2
SCHEMBL4977949 0.82 ALDH1A1 (0.60) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2
SCHEMBL4977941 0.82 ALDH1A1 (0.60) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2
SCHEMBL4191194 0.80 CHRM3 (0.53) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2
SCHEMBL4176854 0.79 CHRM3 (0.56) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2
SCHEMBL4184498 0.78 ALDH1A1 (0.67) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2
SCHEMBL4184606 0.78 CYP1A2 (0.51) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2
SCHEMBL4184609 0.78 CYP1A2 (0.51) CYP1A2ALDH1A1CYP3A4CYP2D6CHRM2

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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM5 CYP1A2 189/4885ALDH1A1 698/4885CYP3A4 370/4885

“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.