SCHEMBL2995935

SCHEMBL2995935

CC(=O)N(c1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.54
TACR1 P25103 5/20 0.54
SLC6A2 P23975 8/20 0.43
SLC6A3 Q01959 8/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7812359 0.84 TACR1 (0.54) SLC6A4TACR1SLC6A2SLC6A3HRH3
SCHEMBL6160138 0.84 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3CHRM2CHRM3
SCHEMBL28787509 0.84 MEN1 (0.52) SLC6A4TACR1SLC6A2SLC6A3MEN1
SCHEMBL9785709 0.83 SLC6A4 (0.53) SLC6A4TACR1SLC6A2SLC6A3CHRM2
Hydrochloric Acid SCHEMBL22797859 0.83 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3CHRM2CHRM3
Hydrochloric Acid SCHEMBL9785704 0.82 SLC6A4 (0.52) SLC6A4TACR1SLC6A2SLC6A3CYP2D6
SCHEMBL28787507 0.81 TACR1 (0.64) SLC6A4TACR1SLC6A2SLC6A3HRH3
SCHEMBL5383249 0.80 SLC6A4 (0.48) SLC6A4TACR1SLC6A2SLC6A3CYP2D6
SCHEMBL7259641 0.76 SLC6A4 (0.38) SLC6A4TACR1SLC6A2SLC6A3CHRM2
SCHEMBL9785728 0.76 QPCT (0.52) SLC6A4TACR1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 WO disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 WO 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 (4 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 SLC6A4 950/4885TACR1 56/4885SLC6A2 772/4885
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 SLC6A4 117/4885TACR1 837/4885SLC6A2 47/4885
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 SLC6A4 559/4885TACR1 57/4885SLC6A2 459/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 SLC6A4 950/4885TACR1 56/4885SLC6A2 772/4885

“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.