SCHEMBL4875615

SCHEMBL4875615

Clc1cccc(SC2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
SLC6A4 P31645 6/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 4/20 0.41
HTR1A P08908 2/20 0.41
HTR6 P50406 3/20 0.41
THRB P10828 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
CYP2D6 P10635 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
TP53 P04637 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 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
Fumaric Acid SCHEMBL10797404 0.87 DDB1 (0.43) CYP1A2MEN1KMT2ADDB1CRBN
Maleic Acid SCHEMBL10797396 0.87 DDB1 (0.43) CYP1A2MEN1KMT2ADDB1CRBN
SCHEMBL16770957 0.82 MEN1 (0.45) CYP1A2MEN1KMT2ADDB1CRBN
SCHEMBL4872590 0.81 DDB1 (0.45) DDB1CRBNSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL17061990 0.80 MEN1 (0.44) CYP1A2MEN1KMT2ASLC6A4SLC6A2
Bromide SCHEMBL10795175 0.80 DDB1 (0.44) DDB1CRBNSLC6A4SLC6A2SLC6A3
SCHEMBL18376187 0.79 HTR2C (0.53) CYP1A2MEN1KMT2ADDB1CRBN
SCHEMBL4514790 0.79 MEN1 (0.44) CYP1A2MEN1KMT2ADDB1CRBN
SCHEMBL2795867 0.78 CYP1A2 (0.49) CYP1A2MEN1KMT2ADDB1CRBN
Hydrochloric Acid SCHEMBL23799249 0.78 HTR2C (0.54) CYP1A2MEN1KMT2ADDB1CRBN

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 CYP1A2 2014/4885MEN1 3946/4885KMT2A 2028/4885

“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.