SCHEMBL12853157

SCHEMBL12853157

C=C(OCC)N1CCC(C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ THRB P10828 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ HCRTR2 O43614 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12988221 0.93 MAPT (0.39) MAPTGAAALDH1A1THRBATM
SCHEMBL4762356 0.79 GAA (0.61) MAPTGAAALDH1A1THRBATM
SCHEMBL12988891 0.79 MMP2 (0.32) THRBATML3MBTL1HCRTR2
SCHEMBL12084802 0.76 MAPT (0.39) MAPTGAAALDH1A1THRBATM
SCHEMBL19999715 0.76 KDM5A (0.33) MAPTGAAALDH1A1HCRTR2
SCHEMBL26606124 0.76 HRH3 (0.38) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12767851 0.76 HRH3 (0.36) MAPTALDH1A1L3MBTL1CYP3A4CYP2D6
SCHEMBL14023298 0.75 MAPT (0.53) MAPTGAAALDH1A1CYP3A4CYP2D6
SCHEMBL18161032 0.75 GAA (0.33) MAPTGAAALDH1A1
SCHEMBL681442 0.74 CPN1 (0.33) ALDH1A1MEN1KMT2A

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-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 — — US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 — — 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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 MAPT 3158/4885GAA 3269/4885ALDH1A1 3650/4885

“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.

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