SCHEMBL5905885

SCHEMBL5905885

Cc1ccc2c(c1)CCCN2CCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.56
▸ CHRM4 P08173 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ CHRM3 P20309 1/20 0.56
▸ ALDH1A1 P00352 8/20 0.55
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ SMAD3 P84022 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44

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
SCHEMBL4572836 0.90 NOTUM (0.47) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL10020224 0.83 CHRM2 (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL12956755 0.82 ALDH1A1 (0.59) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL15871059 0.82 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL25818515 0.82 ALDH1A1 (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL20863104 0.81 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL29754371 0.80 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4403055 0.79 CHRM2 (0.57) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL434992 0.78 ALDH1A1 (0.62) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL12656456 0.78 CHRM2 (0.70) CHRM2CHRM4CHRM1CHRM3ALDH1A1

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-20060100202-A1 Novel compounds SMITHKLINE BEECHAM PLC (GB) 2006-05-11 — — 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-20060100202-A1 Novel compounds F12, REN, AVPR2 CHRM2 458/4885CHRM4 1341/4885CHRM1 349/4885

“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.

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