SCHEMBL4535768

SCHEMBL4535768

COc1ccc(CC(=O)NC2(Cc3ccc(C)cc3)CCN(C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ EGFR P00533 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ CHRM5 P08912 2/20 0.44
▸ CHRM3 P20309 2/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ UTS2R Q9UKP6 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 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
SCHEMBL7054924 0.74 ALDH1A1 (0.44) HTTALDH1A1ADRB2SMN1; SMN2KDM4E
SCHEMBL3175750 0.72 EPHX2 (0.56) MAPTHTTCYP2D6ALDH1A1ADRB2
SCHEMBL20069608 0.70 ADRB2 (0.49) HTTALDH1A1ADRB2L3MBTL1HSD17B10
SCHEMBL2453779 0.69 SMN1; SMN2 (0.78) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL20069601 0.69 DPP4 (0.49) HTTALDH1A1ADRB2CHRM1L3MBTL1
SCHEMBL20069533 0.69 ADRB2 (0.47) HTTALDH1A1ADRB2CHRM5CHRM3
SCHEMBL20069530 0.68 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL18159083 0.68 LMNA (0.43) HTT
SCHEMBL20069529 0.67 ALDH1A1 (0.45) HTTALDH1A1ADRB2HSD17B10
SCHEMBL5963579 0.67 EPHX2 (0.56) MAPTEGFRHTTCYP2D6ALDH1A1

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-20090186921-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS, INC. (US) 2009-07-23 — — 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-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT MAPT 3047/4885EGFR 2228/4885HTT 649/4885

“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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