SCHEMBL5151092

SCHEMBL5151092

N#CCCn1cc(C[C@H](N)CO)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SCN9A Q15858 5/20 0.48
▸ HSD17B10 Q99714 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ CCNT1 O60563 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL5155397 0.94 SCN9A (0.47) USP2TSHRSMN1; SMN2SCN9AHSD17B10
SCHEMBL5151251 0.93 CCNT1 (0.49) USP2TSHRSMN1; SMN2SCN9AHSD17B10
SCHEMBL4602461 0.93 CCNT1 (0.49) USP2TSHRSMN1; SMN2SCN9AHSD17B10
SCHEMBL4601912 0.87 SCN9A (0.50) USP2TSHRSMN1; SMN2SCN9AKMT2A
SCHEMBL5151526 0.81 SCN9A (0.49) SCN9AKMT2AALDH1A1MAPTRECQL
SCHEMBL5154580 0.81 ICMT (0.55) SCN9AHSD17B10KMT2ACNR2ALDH1A1
SCHEMBL4613529 0.80 SCN9A (0.53) SCN9AKMT2AMEN1CCNT1CDK9
SCHEMBL5149260 0.80 SCN9A (0.53) SCN9AKMT2AMEN1CCNT1CDK9
SCHEMBL5156070 0.80 SCN9A (0.53) SCN9AKMT2AMEN1CCNT1CDK9
SCHEMBL5152025 0.80 SCN9A (0.51) SCN9AKMT2ACNR2ALDH1A1MAPT

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 USP2 2875/4885TSHR 122/4885SMN1; 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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