SCHEMBL5154462

SCHEMBL5154462

C[C@@](N)(O)Cc1cn(CC#N)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ HTR3A P46098 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ HTR6 P50406 2/20 0.36
▸ ICMT O60725 2/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ STAT3 P40763 1/20 0.35

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
SCHEMBL5154476 0.84 CCNT1 (0.48) KMT2AMEN1USP2TSHRCNR2
SCHEMBL28665118 0.73 CDC25A (0.58) KMT2AMEN1POLBCNR2ICMT
SCHEMBL4601912 0.73 SCN9A (0.50) KMT2AMEN1POLBUSP2TSHR
SCHEMBL19068192 0.71 POLB (0.46) KMT2AMEN1POLBUSP2TSHR
SCHEMBL17176648 0.69 RAB9A (0.64) KMT2AMEN1POLBCNR2HTR3A
SCHEMBL27597588 0.69 POLB (0.45) KMT2AMEN1POLBTSHRCNR2
SCHEMBL17170689 0.69 TSHR (0.67) KMT2AMEN1POLBTSHRCNR2
SCHEMBL21600839 0.68 MEN1 (0.47) KMT2AMEN1POLBTSHRCNR2
SCHEMBL30808127 0.68 HTR6 (0.39) KMT2AHTR6ICMT
SCHEMBL15459561 0.67 CYP19A1 (0.51) KMT2AMEN1USP2ICMTALDH1A1

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 KMT2A 916/4885MEN1 410/4885POLB 4403/4885

“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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