SCHEMBL5154580

SCHEMBL5154580

CCCCn1cc(C[C@H](N)CO)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 1/20 0.55
▸ CDC25A P30304 1/20 0.53
▸ SCN9A Q15858 1/20 0.49
▸ CNR2 P34972 5/20 0.48
▸ CNR1 P21554 5/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DNM2 P50570 4/20 0.45
▸ IL6ST P40189 1/20 0.44

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
SCHEMBL5155704 0.95 ICMT (0.62) ICMTCDC25ASCN9ACNR2CNR1
SCHEMBL5154481 0.95 ICMT (0.62) ICMTCDC25ASCN9ACNR2CNR1
SCHEMBL5149260 0.86 SCN9A (0.53) ICMTSCN9AALDH1A1KMT2A
SCHEMBL4613529 0.86 SCN9A (0.53) ICMTSCN9AALDH1A1KMT2A
SCHEMBL5156070 0.86 SCN9A (0.53) ICMTSCN9AALDH1A1KMT2A
SCHEMBL5155397 0.85 SCN9A (0.47) ICMTCDC25ASCN9ACNR2CNR1
SCHEMBL5151526 0.84 SCN9A (0.49) ICMTCDC25ASCN9AALDH1A1KMT2A
SCHEMBL4602461 0.84 CCNT1 (0.49) ICMTCDC25ASCN9ACNR2CNR1
SCHEMBL5151251 0.84 CCNT1 (0.49) ICMTCDC25ASCN9ACNR2CNR1
SCHEMBL5152025 0.83 SCN9A (0.51) SCN9ACNR2CNR1ALDH1A1KMT2A

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 ICMT 4467/4885CDC25A 915/4885SCN9A 3913/4885

“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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