SCHEMBL4199937

SCHEMBL4199937

CC(=O)N1CCN(c2cccc(Nc3ccc(OC(F)(F)F)cc3N)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
EGFR P00533 2/20 0.45
CCNT1 O60563 3/20 0.44
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
CDK9 P50750 3/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RORC P51449 2/20 0.42
PHGDH O43175 1/20 0.42
SETD2 Q9BYW2 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
DHFR P00374 1/20 0.41

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
SCHEMBL2655693 0.88 GAA (0.52) EGFRCCNT1CCNA2CDK2CDK9
SCHEMBL2654961 0.85 AKR1C3 (0.47) SCN9AEGFRRORCENPP2MAPT
SCHEMBL2656292 0.85 LMNA (0.52) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2653555 0.82 NPC1 (0.49) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2655735 0.81 MAPT (0.48) EGFRCCNT1CCNA2CDK2CDK9
SCHEMBL2654981 0.78 SMN1; SMN2 (0.51) EGFRCCNT1CCNA2CDK2CDK9
SCHEMBL2655224 0.78 CCNT1 (0.45) EGFRCCNT1CCNA2CDK2CDK9
SCHEMBL2653592 0.77 MAPT (0.43) EGFRCCNT1CCNA2CDK2CDK9
SCHEMBL2654719 0.77 CCNT1 (0.42) EGFRCCNT1CCNA2CDK2CDK9
SCHEMBL4202254 0.77 KDM4E (0.42) EGFRCCNT1CCNA2CDK2CDK9

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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex GABRB1, GABRB2, GABRB3 SCN9A 1783/4885EGFR 2576/4885CCNT1 4531/4885

“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.