SCHEMBL14035488

SCHEMBL14035488

C[C@@H](c1ccc(F)c(F)c1)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CYP2D6 P10635 3/20 0.45
CYP19A1 P11511 1/20 0.45
OGA O60502 2/20 0.44
HSD11B1 P28845 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 1/20 0.37
DPP4 P27487 1/20 0.37
SOS1 Q07889 1/20 0.36
OPRD1 P41143 2/20 0.36

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
SCHEMBL14035317 1.00 CHRM2 (0.49) CHRM2CHRM1CYP2D6CYP19A1OGA
SCHEMBL8458368 1.00 CHRM2 (0.49) CHRM2CHRM1CYP2D6CYP19A1OGA
SCHEMBL12656443 0.90 OGA (0.40) CHRM2CHRM1CYP2D6CYP19A1OGA
SCHEMBL11625076 0.88 CHRM2 (0.48) CHRM2CHRM1CYP2D6CYP19A1OGA
SCHEMBL14035487 0.83 CHRM2 (0.44) CHRM2CHRM1CYP2D6CYP19A1OGA
SCHEMBL3909083 0.83 CYP2D6 (0.61) CYP2D6CYP19A1MEN1KMT2AOPRD1
SCHEMBL2264525 0.81 CHRM2 (0.56) CHRM2CHRM1CYP2D6CYP19A1SIGMAR1
SCHEMBL659199 0.81 CHRM2 (0.56) CHRM2CHRM1CYP2D6CYP19A1SIGMAR1
SCHEMBL3844765 0.81 CHRM2 (0.56) CHRM2CHRM1CYP2D6CYP19A1SIGMAR1
SCHEMBL4094531 0.80 HRH3 (0.39) CHRM2CHRM1OGAHSD11B1SIGMAR1

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 4 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
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2007075895-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 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 (1 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-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 CHRM2 2634/4885CHRM1 3440/4885CYP2D6 3160/4885

“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.