SCHEMBL10102883

SCHEMBL10102883

CB(O)N1CCC(Nc2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK2 O75116 4/20 0.43
SYK P43405 1/20 0.41
S1PR1 P21453 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRNA7 P36544 3/20 0.41
ULK1 O75385 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39

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
SCHEMBL4833481 0.81 NPC1 (0.54) EPHX1NPC1MAPTRAB9AROCK2
SCHEMBL4994830 0.80 HRH3 (0.56) EPHX1NPC1MAPTRAB9AROCK2
SCHEMBL3840654 0.77 MAPT (0.64) EPHX1NPC1MAPTRAB9AROCK2
SCHEMBL1082254 0.76 NPC1 (0.49) EPHX1NPC1MAPTRAB9AROCK2
SCHEMBL312970 0.75 KDM4E (0.60) MAPTROCK2CYP3A4CHRNA7MAOA
SCHEMBL312418 0.75 ALDH1A1 (0.60) EPHX1NPC1MAPTRAB9AROCK2
SCHEMBL13003354 0.73 POLB (0.64) NPC1MAPTRAB9AROCK2CYP3A4
SCHEMBL312715 0.71 ALDH1A1 (0.53) EPHX1NPC1MAPTRAB9ACHRNA7
SCHEMBL15039528 0.70 ROCK2 (0.63) ROCK2
SCHEMBL12893941 0.69 LTA4H (0.49) NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 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-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF MAOB, ADORA2B, HTR1B EPHX1 1984/4885NPC1 2989/4885MAPT 2418/4885

“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.