SCHEMBL4180834

SCHEMBL4180834

N#CC(c1ccccc1)(c1ccccc1)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.56
CYP2D6 P10635 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
SCN1A P35498 1/20 0.56
KMT2A Q03164 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GBA1 P04062 1/20 0.38
KCNA3 P22001 4/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
HTR2C P28335 3/20 0.36
NOS2 P35228 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL10360052 0.94 MEN1 (0.50) HRH1CYP2D6MEN1LMNASCN1A
Oxalic Acid SCHEMBL10718680 0.92 LMNA (0.53) HRH1CYP2D6MEN1LMNASCN1A
SCHEMBL963328 0.90 MEN1 (0.49) HRH1CYP2D6MEN1LMNASCN1A
SCHEMBL3409986 0.90 MEN1 (0.49) HRH1CYP2D6MEN1LMNASCN1A
SCHEMBL963327 0.90 MEN1 (0.49) HRH1CYP2D6MEN1LMNASCN1A
Bromide SCHEMBL3491155 0.88 MEN1 (0.47) HRH1CYP2D6MEN1LMNASCN1A
Bromide SCHEMBL3491157 0.88 MEN1 (0.47) HRH1CYP2D6MEN1LMNASCN1A
SCHEMBL13785560 0.83 KEAP1 (0.46) HRH1CYP2D6MEN1SIGMAR1KCNA3
Oxalic Acid SCHEMBL4747189 0.83 MEN1 (0.46) HRH1CYP2D6MEN1LMNASCN1A
Oxalic Acid SCHEMBL4747187 0.83 MEN1 (0.46) HRH1CYP2D6MEN1LMNASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080565-B2 Substituted 4-amino-benzylpiperidine compounds THERAVANCE, INC. (US) 2011-12-20 US disclosed
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 US disclosed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US disclosed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 US 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
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 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 (2 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-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 HRH1 30/4885CYP2D6 906/4885MEN1 2797/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 HRH1 32/4885CYP2D6 689/4885MEN1 3124/4885

“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.