SCHEMBL5156070

SCHEMBL5156070

CCn1cc(C[C@H](N)CO)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ PADI4 Q9UM07 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ TBXAS1 P24557 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BRCA1 P38398 1/20 0.44
▸ NR4A2 P43354 1/20 0.43
▸ ICMT O60725 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TP53 P04637 1/20 0.40

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
SCHEMBL4613529 1.00 SCN9A (0.53) SCN9AKMT2APADI4MAPTCYP19A1
SCHEMBL5149260 1.00 SCN9A (0.53) SCN9AKMT2APADI4MAPTCYP19A1
SCHEMBL5154580 0.86 ICMT (0.55) SCN9AKMT2AALDH1A1ICMT
SCHEMBL5154481 0.84 ICMT (0.62) SCN9AICMT
SCHEMBL5155704 0.84 ICMT (0.62) SCN9AICMT
SCHEMBL5151526 0.83 SCN9A (0.49) SCN9AKMT2AMAPTALDH1A1RECQL
SCHEMBL31236303 0.83 KMT2A (0.69) KMT2APADI4MAPTCYP19A1TBXAS1
SCHEMBL797161 0.83 KMT2A (0.69) KMT2APADI4MAPTCYP19A1TBXAS1
SCHEMBL5152025 0.82 SCN9A (0.51) SCN9AKMT2AMAPTALDH1A1RECQL
SCHEMBL1661389 0.82 GPR84 (0.57) SCN9AMAPTALDH1A1RECQL

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 3913/4885KMT2A 916/4885PADI4 1991/4885

“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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