SCHEMBL5154476

SCHEMBL5154476

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ICMT O60725 1/20 0.46
▸ CDC25A P30304 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PABPC1 P11940 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HTT P42858 3/20 0.37

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
SCHEMBL5154462 0.84 KMT2A (0.42) TSHRUSP2ICMTMEN1KMT2A
SCHEMBL4602461 0.77 CCNT1 (0.49) CCNT1CDK9CCNA2CDK2TSHR
SCHEMBL5151251 0.77 CCNT1 (0.49) CCNT1CDK9CCNA2CDK2TSHR
Naphthalene SCHEMBL28977437 0.74 CDC25A (0.52) CCNT1CDK9CCNA2CDK2TSHR
SCHEMBL5155397 0.73 SCN9A (0.47) CCNT1CDK9CCNA2CDK2TSHR
SCHEMBL28168045 0.73 CDC25A (0.67) CCNT1CDK9CCNA2CDK2ICMT
SCHEMBL30417869 0.71 CNR2 (0.56) CCNT1CDK9CCNA2CDK2MEN1
SCHEMBL8598804 0.71 CNR2 (0.56) CCNT1CDK9CCNA2CDK2MEN1
SCHEMBL12475231 0.70 CDC25A (0.42) CCNT1CDK9CCNA2CDK2TSHR
SCHEMBL5151092 0.69 USP2 (0.51) CCNT1CDK9CCNA2CDK2TSHR

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 CCNT1 810/4885CDK9 3508/4885CCNA2 377/4885

“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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