SCHEMBL4941255

SCHEMBL4941255

Cc1cc(C=O)ccc1N1CCC(CN2CCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
ALDH1A3 P47895 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 9/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
THRB P10828 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
TNNI3 P19429 1/20 0.42
MAPK1 P28482 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
GAA P10253 2/20 0.41
CCR5 P51681 1/20 0.41

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 0.85 ALDH1A1 (0.68) ALDH1A1ALDH1A3SMN1; SMN2MAPTHTT
SCHEMBL4079761 0.82 ALDH1A1 (1.00) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL4937515 0.81 ALDH1A1 (0.46) ALDH1A1ALDH1A3SMN1; SMN2MAPTGAA
SCHEMBL4940764 0.81 MAPT (0.70) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL15339337 0.80 ALDH1A3 (1.00) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL2557270 0.80 ALDH1A1 (0.59) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL3550809 0.79 ALDH1A1 (0.71) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL4941322 0.79 PARP1 (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL22322258 0.79 SIRT2 (0.43) ALDH1A1ALDH1A3MAPTTHRBGAA
SCHEMBL4935664 0.78 TRIM24 (0.62) ALDH1A1SMN1; SMN2L3MBTL1

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 9 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
EP-1556046-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2005-07-27 EP disclosed
WO-2004037257-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
US-20040087573-A1 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-06 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 (2 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-20040087573-A1 Phenylpiperidines and phenylpyrrolidines HRH2, HNMT, HRH3 ALDH1A1 719/4885ALDH1A3 1984/4885SMN1; SMN2 1564/4885
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines HRH2, HNMT, HRH3 ALDH1A1 719/4885ALDH1A3 1984/4885SMN1; SMN2 1564/4885

“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.