SCHEMBL3844765

SCHEMBL3844765

C[C@@H](c1ccc(F)cc1)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 7/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 4/20 0.49
CYP2D6 P10635 4/20 0.49
KCNH2 Q12809 3/20 0.49
SIGMAR1 Q99720 1/20 0.46
OPRM1 P35372 1/20 0.45
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR1 P25103 1/20 0.42
MC4R P32245 1/20 0.42
P4HB P07237 1/20 0.40

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
SCHEMBL659199 1.00 CHRM2 (0.56) CHRM2CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL2264525 1.00 CHRM2 (0.56) CHRM2CHRM1SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL27686048 0.98 CHRM2 (0.55) CHRM2CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL11625155 0.95 CHRM2 (0.52) CHRM2CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL20883792 0.85 CHRM2 (0.59) CHRM2CHRM1SLC6A2SLC6A4CYP2D6
SCHEMBL15318609 0.83 CHRM2 (0.58) CHRM2CHRM1SLC6A2SLC6A4CYP2D6
SCHEMBL11620851 0.82 CHRM2 (0.45) CHRM2CHRM1
SCHEMBL23802307 0.82 SLC6A2 (0.47) CHRM2CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL14035226 0.81 CHRM2 (0.45) CHRM2CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL14035319 0.81 CHRM2 (0.45) CHRM2CHRM1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8227469-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2012-07-24 US disclosed
EP-1720868-B1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC (US) 2009-11-04 EP disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 US disclosed
US-7534798-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-05-19 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
EP-1789413-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2007-05-30 EP disclosed
CN-1953976-A Pyrimidine derivatives for use as vanilloid receptor ligands and their use in the treatment of pain AMGEN INC (US) 2007-04-25 CN disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 US disclosed
WO-2006031852-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-03-23 WO disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 US disclosed
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-18 US disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 US 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 (6 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-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CHRM2 766/4885CHRM1 690/4885SLC6A2 756/4885
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CHRM2 689/4885CHRM1 781/4885SLC6A2 892/4885
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 CHRM2 1020/4885CHRM1 991/4885SLC6A2 910/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 CHRM2 2634/4885CHRM1 3440/4885SLC6A2 993/4885
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CHRM2 1020/4885CHRM1 991/4885SLC6A2 910/4885
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 CHRM2 1447/4885CHRM1 1253/4885SLC6A2 958/4885

“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.