SCHEMBL4186493

SCHEMBL4186493

N#CC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.55
KCNH2 Q12809 1/20 0.53
CCR3 P51677 3/20 0.52
HRH1 P35367 1/20 0.52
ACHE P22303 4/20 0.51
SIGMAR1 Q99720 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
BCHE P06276 1/20 0.47
BACE1 P56817 1/20 0.47
CHRM3 P20309 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45

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 SCHEMBL10360726 0.99 KCNA3 (0.53) KCNA3KCNH2CCR3HRH1ACHE
SCHEMBL956109 0.92 KCNA3 (0.49) KCNA3KCNH2CCR3HRH1ACHE
SCHEMBL956111 0.92 KCNA3 (0.49) KCNA3KCNH2CCR3HRH1ACHE
Hydrochloric Acid SCHEMBL954583 0.90 KCNA3 (0.48) KCNA3KCNH2CCR3HRH1ACHE
Hydrochloric Acid SCHEMBL954585 0.90 KCNA3 (0.48) KCNA3KCNH2CCR3HRH1ACHE
Hydrochloric Acid SCHEMBL10719122 0.90 ACHE (0.50) ACHESIGMAR1BCHEBACE1
SCHEMBL11235320 0.85 KCNA3 (0.50) KCNA3CCR3ACHESIGMAR1DRD2
SCHEMBL8206483 0.82 KCNA3 (0.49) KCNA3KCNH2CCR3HRH1ACHE
SCHEMBL19555070 0.82 MEN1 (0.58) KCNA3KCNH2CCR3HRH1ACHE
SCHEMBL17189449 0.80 HRH1 (0.43) KCNA3KCNH2CCR3HRH1ACHE

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 11 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-4812452-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4812451-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
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 KCNA3 599/4885KCNH2 632/4885CCR3 762/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 KCNA3 396/4885KCNH2 386/4885CCR3 1042/4885

“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.