SCHEMBL4875748

SCHEMBL4875748

CN1CCC(Sc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
HTR6 P50406 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDH1 O75874 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
AR P10275 1/20 0.37
SGK1 O00141 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPY5R Q15761 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
SCHEMBL4863145 0.90 SMN1; SMN2 (0.51) PKMSMN1; SMN2GAALMNAL3MBTL1
SCHEMBL4876553 0.81 HTR2A (0.47) LMNAHTR6L3MBTL1HTR2AHTR2C
SCHEMBL4870783 0.79 SLC40A1 (0.44) PKMSMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL4876617 0.78 TYMS (0.45) PKMSMN1; SMN2GAALMNAL3MBTL1
SCHEMBL4876689 0.77 CES1 (0.54) PKMHTR6L3MBTL1TDP1HTR2A
SCHEMBL4868699 0.75 TRIM24 (0.51) PKMLMNAHTR6L3MBTL1MEN1
SCHEMBL4875946 0.74 CDK1 (0.56) PKMHTR6TDP1SGK1
SCHEMBL4868720 0.74 MAPT (0.49) PKMSMN1; SMN2LMNAHTR6HTR2A
SCHEMBL4866321 0.73 ALDH1A1 (0.57) SMN1; SMN2GAALMNAL3MBTL1TDP1
SCHEMBL4874458 0.73 ALDH1A1 (0.44) SMN1; SMN2LMNAHTR6HTR2AHTR2C

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 4 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
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 PKM 4341/4885SMN1; SMN2 855/4885GAA 3452/4885

“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.