SCHEMBL5155397

SCHEMBL5155397

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.47
▸ CCNT1 O60563 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ICMT O60725 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ CDC25A P30304 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 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
SCHEMBL4602461 0.96 CCNT1 (0.49) SCN9ACCNT1CDK9USP2TSHR
SCHEMBL5151251 0.96 CCNT1 (0.49) SCN9ACCNT1CDK9USP2TSHR
SCHEMBL5151092 0.94 USP2 (0.51) SCN9ACCNT1CDK9USP2TSHR
SCHEMBL4601912 0.86 SCN9A (0.50) SCN9AUSP2TSHRCNR2SMN1; SMN2
SCHEMBL5154580 0.85 ICMT (0.55) SCN9ACNR1CNR2ICMTKMT2A
SCHEMBL5154481 0.82 ICMT (0.62) SCN9ACNR1CNR2ICMTCDC25A
SCHEMBL5155704 0.82 ICMT (0.62) SCN9ACNR1CNR2ICMTCDC25A
SCHEMBL5151102 0.81 SCN9A (0.57) SCN9ATSHRSMN1; SMN2ICMTGAA
SCHEMBL5151526 0.80 SCN9A (0.49) SCN9AICMTKMT2ACDC25A
SCHEMBL4613529 0.79 SCN9A (0.53) SCN9ACCNT1CDK9ICMTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078262-A1 Thiomorpholino steroid compounds, the use thereof for the preparation of meiosis-regulating medicaments and method for the preparation thereof SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-05 — — US disclosed
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 (2 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 3913/4885CCNT1 810/4885CDK9 3508/4885
US-20070078262-A1 Thiomorpholino steroid compounds, the use thereof for the preparation of meiosis-regulating medicaments and method for the preparation thereof NR5A1, CYP11A1, SHBG SCN9A 4301/4885CCNT1 1195/4885CDK9 3459/4885

“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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