SCHEMBL959566

SCHEMBL959566

NC(=O)C(c1ccccc1)(c1ccccc1)C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.57
HRH1 P35367 1/20 0.57
SCN1A P35498 1/20 0.57
SCN2A Q99250 1/20 0.57
SCN3A Q9NY46 1/20 0.57
MAPT P10636 1/20 0.42
CHRM3 P20309 6/20 0.41
CHRM2 P08172 5/20 0.41
CHRM1 P11229 5/20 0.41
ADRB2 P07550 1/20 0.41
CHRM4 P08173 1/20 0.41
ADRB1 P08588 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
KCNE1 P15382 1/20 0.41
ADRA2B P18089 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
SCHEMBL10361030 0.94 CYP2D6 (0.51) KMT2AMEN1LMNACYP2D6HRH1
Fumaric Acid SCHEMBL10555317 0.93 HRH1 (0.50) KMT2AMEN1LMNACYP2D6HRH1
Fumaric Acid SCHEMBL10550604 0.91 HRH1 (0.49) KMT2AMEN1LMNACYP2D6HRH1
SCHEMBL4396455 0.90 KMT2A (0.50) KMT2AMEN1LMNACYP2D6HRH1
SCHEMBL953947 0.90 KMT2A (0.50) KMT2AMEN1LMNACYP2D6HRH1
SCHEMBL958241 0.90 KMT2A (0.50) KMT2AMEN1LMNACYP2D6HRH1
Bromide SCHEMBL4505514 0.89 KMT2A (0.49) KMT2AMEN1LMNACYP2D6HRH1
Hydrochloric Acid SCHEMBL10869034 0.89 KMT2A (0.49) KMT2AMEN1LMNACYP2D6HRH1
Bromide SCHEMBL4505510 0.89 KMT2A (0.49) KMT2AMEN1LMNACYP2D6HRH1
Maleic Acid SCHEMBL10360499 0.84 HRH1 (0.44) KMT2AMEN1LMNACYP2D6HRH1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178947-B1 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1990-09-26 EP claimed
EP-0178947-A2 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP claimed
EP-0178946-A2 1-(Aminoalkyl)-alpha, alpha-diaryl pyrrolidine-piperidine- and homopiperidine- acetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP claimed
US-8080565-B2 Substituted 4-amino-benzylpiperidine compounds THERAVANCE, INC. (US) 2011-12-20 US disclosed
US-8008278-B2 Diarylmethyl and related compounds THERAVANCE, INC. (US) 2011-08-30 US disclosed
US-20110015152-A1 DIARYLMETHYL AND RELATED COMPOUNDS THERAVANCE, INC. (US) 2011-01-20 US disclosed
US-7829728-B2 Diarymethyl and related compounds THERAVANCE, INC. (US) 2010-11-09 US disclosed
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 US disclosed
US-20080114030-A1 Diarymethyl and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-05-15 US disclosed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US disclosed
US-7317102-B2 Diarylmethyl and related compounds THERAVANCE, INC. (US) 2008-01-08 US disclosed
WO-2005007645-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS THERAVANCE, INC. (US) 2005-01-27 WO disclosed
WO-2004089892-A2 DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ANDRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2004-10-21 WO disclosed
EP-0178947-B1 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1990-09-26 EP disclosed
US-4812451-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4812452-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4810703-A ANTIARRHYTHMIA A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed
US-4594343-A FOR DEEP FAT FRYING VAT OIL; REMOVING CONTAMINANTS; RESTAURANTS A.H. ROBINS COMPANY, INCORPORATED, A DE CORP. 1986-06-10 US disclosed
EP-0178947-A2 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 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 (3 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-20080114030-A1 Diarymethyl and related compounds ADRB2, ADRB1, ADRA2B KMT2A 789/4885MEN1 3945/4885LMNA 3178/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 KMT2A 1329/4885MEN1 3124/4885LMNA 4813/4885
US-20110015152-A1 DIARYLMETHYL AND RELATED COMPOUNDS ADRB2, ADRB1, ADRA2B KMT2A 708/4885MEN1 3434/4885LMNA 3001/4885

“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.