SCHEMBL4937515

SCHEMBL4937515

O=Cc1ccc(N2CCC(CN3CCCC3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A3 P47895 6/20 0.44
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NOTUM Q6P988 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH3A1 P30838 1/20 0.36
EML4 Q9HC35 1/20 0.36
ALK Q9UM73 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35

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
SCHEMBL4939884 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2ALDH1A3GAAMAPT
SCHEMBL19582610 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2ALDH1A3GAAMAPT
SCHEMBL4941255 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2ALDH1A3GAAMAPT
SCHEMBL4933545 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAOPRM1OPRL1
SCHEMBL4940764 0.78 MAPT (0.70) ALDH1A1SMN1; SMN2ALDH1A3GAAMAPT
SCHEMBL4938511 0.76 ALDH1A1 (0.40) ALDH1A1GAANOTUMOPRM1OPRL1
SCHEMBL4935664 0.75 TRIM24 (0.62) ALDH1A1SMN1; SMN2
SCHEMBL4937138 0.75 HRH3 (0.43) ALDH1A1GAAOPRM1OPRL1OPRD1
SCHEMBL4937801 0.74 L3MBTL3 (0.50) ALDH1A1GAACYP2C9HRH3
SCHEMBL19582710 0.74 ALDH1A3 (0.64) ALDH1A1SMN1; SMN2ALDH1A3GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines APODACA RICHARD L 2008-01-03 US disclosed
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines APODACA RICHARD L 2008-01-03 US disclosed
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines APODACA RICHARD L 2008-01-03 US disclosed
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 US disclosed
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 US disclosed
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 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-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines HRH2, HNMT, HRH3 ALDH1A1 719/4885SMN1; SMN2 1564/4885ALDH1A3 1984/4885

“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.