SCHEMBL5155704

SCHEMBL5155704

CCCCCCCn1cc(C[C@H](N)CO)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 2/20 0.62
▸ CDC25A P30304 1/20 0.60
▸ DNM2 P50570 4/20 0.48
▸ CNR2 P34972 6/20 0.47
▸ CNR1 P21554 3/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47

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
SCHEMBL5154481 1.00 ICMT (0.62) ICMTCDC25ADNM2CNR2CNR1
SCHEMBL5154580 0.95 ICMT (0.55) ICMTCDC25ADNM2CNR2CNR1
SCHEMBL5156070 0.84 SCN9A (0.53) ICMTSCN9A
SCHEMBL4613529 0.84 SCN9A (0.53) ICMTSCN9A
SCHEMBL5149260 0.84 SCN9A (0.53) ICMTSCN9A
SCHEMBL4602461 0.84 CCNT1 (0.49) ICMTCDC25ACNR2CNR1SCN9A
SCHEMBL5151251 0.84 CCNT1 (0.49) ICMTCDC25ACNR2CNR1SCN9A
SCHEMBL5155397 0.82 SCN9A (0.47) ICMTCDC25ACNR2CNR1SCN9A
SCHEMBL5462804 0.82 CDC25A (0.70) ICMTCDC25ADNM2CNR2CNR1
SCHEMBL5151526 0.82 SCN9A (0.49) ICMTCDC25ASCN9A

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 915/4885DNM2 1481/4885

“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.

Send feedback