SCHEMBL4875946

SCHEMBL4875946

CN1CCC(Sc2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK2 P24941 1/20 0.56
CDK7 P50613 1/20 0.56
CCNH P51946 1/20 0.56
CCNA1 P78396 1/20 0.56
CDK6 Q00534 1/20 0.56
APP P05067 1/20 0.55
TDP1 Q9NUW8 1/20 0.50
PFKFB3 Q16875 1/20 0.44
SGK1 O00141 6/20 0.41
S100A9 P06702 3/20 0.41
HTR6 P50406 2/20 0.40
TYMS P04818 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
PKM P14618 1/20 0.37
SLC6A9 P48067 1/20 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
SCHEMBL4876553 0.81 HTR2A (0.47) HTR6
SCHEMBL4876689 0.78 CES1 (0.54) TDP1HTR6PKM
SCHEMBL4865306 0.78 ALDH1A1 (0.53) PKM
SCHEMBL4868720 0.78 MAPT (0.49) HTR6PKM
SCHEMBL4872638 0.76 GHSR (0.45) UTS2RPKM
SCHEMBL4876385 0.76 HTR6 (0.49) HTR6
SCHEMBL4876743 0.76 PKM (0.45) TDP1SGK1HTR6UTS2RPKM
SCHEMBL4875762 0.75 MAPT (0.52)
SCHEMBL4868699 0.75 TRIM24 (0.51) HTR6UTS2RPKM
SCHEMBL4874458 0.75 ALDH1A1 (0.44) HTR6

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-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 CDK1 2334/4885CCNB1 1663/4885CCNA2 3077/4885

“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.