SCHEMBL5370939

SCHEMBL5370939

CC1(C)CCC(=O)N1c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
MMP13 P45452 5/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 2/20 0.38
NOTUM Q6P988 1/20 0.38
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 2/20 0.35
GAA P10253 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
SCHEMBL8305604 0.84 HTT (0.45) TNKSTNKS2MMP13ALDH1A1MAPT
SCHEMBL29348929 0.82 MMP13 (0.58) TNKSTNKS2MMP13ALDH1A1POLB
SCHEMBL10401778 0.81 DDB1 (0.44) DDB1CRBNMMP13ALDH1A1KDM4E
SCHEMBL17055351 0.79 TNKS (0.41) TNKSTNKS2MMP13ALDH1A1POLB
SCHEMBL30316050 0.79 TNKS (0.41) TNKSTNKS2MMP13ALDH1A1POLB
SCHEMBL5379570 0.78 SIRT6 (0.45) TNKSTNKS2CRBNALDH1A1MAPT
SCHEMBL29348907 0.74 LMNA (0.42) TNKSTNKS2ALDH1A1MAPTKMT2A
SCHEMBL24746114 0.73 TNKS (0.45) TNKSTNKS2MMP13ALDH1A1POLB
SCHEMBL29348909 0.72 MMP13 (0.51) TNKSTNKS2MMP13ALDH1A1KMT2A
SCHEMBL28658165 0.72 MMP13 (0.42) TNKSTNKS2MMP13ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 TNKS 1415/4885TNKS2 2731/4885DDB1 1887/4885

“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.