SCHEMBL312970

SCHEMBL312970

CCOC(=O)N1CCC(Nc2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
USP2 O75604 2/20 0.52
NOS2 P35228 5/20 0.51
NOS1 P29475 4/20 0.51
NOS3 P29474 2/20 0.51
CHRNA7 P36544 2/20 0.51
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
MAOA P21397 1/20 0.49
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
RIN1 Q13671 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL312418 0.86 ALDH1A1 (0.60) MAPTALDH1A1CHRNA7HTTROCK2
SCHEMBL312715 0.80 ALDH1A1 (0.53) MAPTALDH1A1CHRNA7HTT
SCHEMBL764570 0.78 ALDH1A1 (0.65) KDM4ELMNAMAPTALDH1A1USP2
SCHEMBL16359223 0.77 KDM4E (0.61) KDM4ELMNAMAPTALDH1A1USP2
SCHEMBL4833481 0.76 NPC1 (0.54) MAPTUSP2GAAMAOANPSR1
SCHEMBL11457429 0.76 KDM4E (0.63) KDM4ELMNAMAPTALDH1A1USP2
SCHEMBL10102883 0.75 EPHX1 (0.44) MAPTCHRNA7MAOAROCK2CYP3A4
SCHEMBL4994830 0.75 HRH3 (0.56) MAPTCHRNA7ROCK2CYP3A4
SCHEMBL14180558 0.74 KDM4E (0.58) KDM4ELMNAMAPTALDH1A1USP2
SCHEMBL14180591 0.74 KDM4E (0.58) KDM4ELMNAMAPTALDH1A1USP2

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 4 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
EP-2268631-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO 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 KDM4E 878/4885LMNA 3076/4885MAPT 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.