SCHEMBL4484922

SCHEMBL4484922

CCC(=O)N1CCC(c2ccc(CC)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.58
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
STAT1 P42224 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSC P53634 1/20 0.47
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
P2RY14 Q15391 1/20 0.44
GRM5 P41594 1/20 0.44
MCHR1 Q99705 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
QDPR P09417 1/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
FKBP1A P62942 1/20 0.43

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
SCHEMBL15437161 0.88 EPHX2 (0.46) EPHX2RAB9ANPC1MAPTSTAT1
SCHEMBL15692311 0.86 EPHX2 (0.57) EPHX2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11439049 0.86 QDPR (0.59) RAB9ANPC1MAPTSTAT1SMN1; SMN2
SCHEMBL19097366 0.86 EPHX2 (0.57) EPHX2NAMPTP2RY14GRM5MCHR1
SCHEMBL27957954 0.84 EPHX2 (0.58) EPHX2NPC1MAPTSMN1; SMN2CTSC
SCHEMBL4034093 0.84 ALDH1A1 (0.57) EPHX2RAB9ANPC1MAPTSTAT1
SCHEMBL10265353 0.84 NPC1 (0.48) EPHX2RAB9ANPC1MAPTSTAT1
SCHEMBL24478306 0.83 RAB9A (0.54) RAB9ANPC1MAPTSTAT1SMN1; SMN2
SCHEMBL15686707 0.82 EPHX2 (0.60) EPHX2SMN1; SMN2CTSCNAMPTALDH1A1
SCHEMBL24478307 0.82 MAPT (0.50) EPHX2RAB9ANPC1MAPTSTAT1

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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK EPHX2 2126/4885RAB9A 2487/4885NPC1 949/4885

“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.