SCHEMBL5151102

SCHEMBL5151102

N[C@H](CO)Cc1cn(CCCOc2ccccc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MCL1 Q07820 3/20 0.51
▸ TERT O14746 1/20 0.51
▸ TSHR P16473 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ICMT O60725 3/20 0.47
▸ GAA P10253 1/20 0.46
▸ ADAM17 P78536 1/20 0.46

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
SCHEMBL5154580 0.83 ICMT (0.55) SCN9AALDH1A1ICMT
SCHEMBL5152025 0.81 SCN9A (0.51) SCN9AALDH1A1MAPT
SCHEMBL5155704 0.81 ICMT (0.62) SCN9AICMT
SCHEMBL5155397 0.81 SCN9A (0.47) SCN9ASMN1; SMN2TSHRICMTGAA
SCHEMBL5154481 0.81 ICMT (0.62) SCN9AICMT
SCHEMBL4602461 0.80 CCNT1 (0.49) SCN9ASMN1; SMN2TSHRICMTGAA
SCHEMBL5151251 0.80 CCNT1 (0.49) SCN9ASMN1; SMN2TSHRICMTGAA
SCHEMBL5151526 0.78 SCN9A (0.49) SCN9AALDH1A1MAPTMCL1ICMT
SCHEMBL4613529 0.77 SCN9A (0.53) SCN9AALDH1A1MAPTICMT
SCHEMBL5149260 0.77 SCN9A (0.53) SCN9AALDH1A1MAPTICMT

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R SCN9A 3913/4885ALDH1A1 3830/4885SMN1; SMN2 3867/4885

“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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