SCHEMBL3174684

SCHEMBL3174684

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)C(C)C)CC2)n3-c2ccnc(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.41
CHRNA7 P36544 2/20 0.38
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
CDK6 Q00534 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL3174819 0.93 HRH3 (0.42) HRH3CHRNA7CCNT1CDK9CDK1
SCHEMBL3160440 0.91 HRH3 (0.43) HRH3CHRNA7
SCHEMBL3170622 0.90 KMT2A (0.42) HRH3CHRNA7
SCHEMBL3174359 0.89 HRH3 (0.43) HRH3CHRNA7CCNT1CDK9CDK1
SCHEMBL3166043 0.89 LMNA (0.43) HRH3
SCHEMBL3174691 0.89 ALDH1A1 (0.42) HRH3CHRNA7
SCHEMBL3167033 0.88 HRH3 (0.43) HRH3CHRNA7CCNT1CDK9CDK1
SCHEMBL3167059 0.87 F10 (0.47) HRH3CHRNA7SLC6A4
SCHEMBL3173471 0.87 HRH3 (0.42) HRH3CHRNA7CCNT1CDK9CDK1
SCHEMBL3160492 0.86 CHRNA7 (0.46) HRH3CHRNA7

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-7648979-B2 5-amido-(1H-indol-2-yl)-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-19 US disclosed
US-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 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-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885CHRNA7 129/4885CCNT1 1197/4885

“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.