SCHEMBL10162956

SCHEMBL10162956

CCCC(=O)N1CCN(c2ccc(C3CCNC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
NAMPT P43490 2/20 0.49
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL10162771 0.81 JAK3 (0.42) POLBMEN1KMT2A
SCHEMBL10163586 0.80 MAPT (0.54) MAPTNAMPTUSP2POLBNPSR1
SCHEMBL10162739 0.76 HTR3A (0.58)
SCHEMBL10163027 0.75 SLC18A3 (0.55)
SCHEMBL10161191 0.74 HTR3A (0.56) LMNA
SCHEMBL10163043 0.74 HTR3A (0.40)
SCHEMBL10161177 0.74 HTR3A (0.51)
SCHEMBL21084409 0.74 CNR1 (0.68) MAPTUSP2POLBLMNACNR1
SCHEMBL10130948 0.74 MAPT (0.50) MAPTNAMPTUSP2POLBNPSR1
SCHEMBL12282092 0.73 MAPT (0.76) MAPTNAMPTUSP2NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 MAPT 219/4885NAMPT 471/4885USP2 3619/4885

“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.