SCHEMBL7070397

SCHEMBL7070397

c1ccc(C(CC2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.55
SOS1 Q07889 1/20 0.53
CACNA2D1 P54289 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNB1 Q02641 1/20 0.48
SLC18A3 Q16572 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
KDM1A O60341 2/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
HRH1 P35367 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL10350584 0.98 GBA1 (0.53) GBA1SOS1CACNA2D1CACNA1BCACNB1
SCHEMBL8326386 0.87 GBA1 (0.50) GBA1SOS1CACNA2D1CACNA1BCACNB1
SCHEMBL6267837 0.85 HTR2A (0.44) SOS1SIGMAR1HRH1
SCHEMBL7437609 0.83 GBA1 (0.42) GBA1SOS1SIGMAR1SLC6A4
SCHEMBL27569453 0.83 GBA1 (0.50) GBA1SOS1CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL10350611 0.82 GBA1 (0.41) GBA1SIGMAR1SLC6A4
SCHEMBL29706726 0.81 CYP2D6 (0.46) HRH1
SCHEMBL29706727 0.81 GAA (0.47) SOS1HRH1
SCHEMBL8851760 0.81 SOS1 (0.58) GBA1SOS1CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL7438746 0.80 GBA1 (0.40) GBA1SIGMAR1SLC6A4

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
WO-2011121099-A2 PROCESS FOR THE PREPARATION OF 1-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-[4-(DIPHENYLMETHOXY)-1-PIPERIDINYL]-1-BUTANONE AND ACID ADDITION SALTS THEREOF AREVIPHARMA GMBH (DE) 2011-10-06 WO disclosed
US-20030065186-A1 Novel 4-diphenylethyl piperidine derivatives LING KAH HIING (US) 2003-04-03 US disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
EP-0221376-B1 N-SUBSTITUTED DIPHENYL PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 1990-06-20 EP disclosed
EP-0221376-A2 N-substituted diphenyl piperidines F. HOFFMANN-LA ROCHE AG (CH) 1987-05-13 EP disclosed
US-4632925-A INSULIN LOWERING ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1986-12-30 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-20030065186-A1 Novel 4-diphenylethyl piperidine derivatives HRH4, HRH2, HRH1 GBA1 2224/4885SOS1 4878/4885CACNA2D1 2208/4885

“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.