SCHEMBL4869756

SCHEMBL4869756

Clc1ccc(Cl)c(SC2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SLC6A4 P31645 7/20 0.40
SLC6A2 P23975 6/20 0.40
SLC6A3 Q01959 5/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
USP2 O75604 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR3A P46098 1/20 0.36

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
Hydrochloric Acid SCHEMBL10794779 0.98 DDB1 (0.48) DDB1CRBNCYP1A2CYP2D6KMT2A
SCHEMBL9487364 0.82 DDB1 (0.48) DDB1CRBNCYP1A2KMT2AMEN1
SCHEMBL83809 0.79 CYP1A2 (0.50) CYP1A2CYP2D6KMT2AMEN1SLC6A4
Hydrochloric Acid SCHEMBL72071 0.77 CYP1A2 (0.49) CYP1A2CYP2D6KMT2AMEN1SLC6A4
SCHEMBL9178079 0.75 SLC6A4 (0.53) SLC6A4HTR2A
SCHEMBL2795867 0.74 CYP1A2 (0.49) DDB1CRBNCYP1A2CYP2D6KMT2A
Hydrochloric Acid SCHEMBL9176359 0.74 SLC6A4 (0.52) SLC6A4HTR2A
SCHEMBL4426398 0.74 SLC6A2 (0.46) CYP1A2CYP2D6KMT2AMEN1SLC6A4
SCHEMBL14082459 0.73 MEN1 (0.42) CYP1A2KMT2AMEN1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7476351 0.73 CYP1A2 (0.47) DDB1CRBNCYP1A2CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4642348-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US claimed
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
US-4642348-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US disclosed
US-4593102-A N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US disclosed
EP-0160436-A2 N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position A.H. ROBINS COMPANY, INCORPORATED (US) 1985-11-06 EP 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 DDB1 1175/4885CRBN 1082/4885CYP1A2 2014/4885

“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.