SCHEMBL3827396

SCHEMBL3827396

CN(C)C(c1cccnc1)C1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
KCNA5 P22460 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GBA1 P04062 1/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
CYP2D6 P10635 4/20 0.37
ALDH1A1 P00352 2/20 0.37

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 SCHEMBL5455419 0.98 CFTR (0.41) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL3825017 0.90 GBA1 (0.41) CFTRSLC6A2SLC6A4SLC6A3GOPC
Doxpicomine SCHEMBL29356901 0.78 SLC6A2 (0.38) CFTRSLC6A2SLC6A4SLC6A3GOPC
Doxpicomine SCHEMBL11176546 0.78 SLC6A2 (0.38) CFTRSLC6A2SLC6A4SLC6A3GOPC
Doxpicomine SCHEMBL11865226 0.77 TSHR (0.37) CFTRSLC6A2SLC6A4SLC6A3GOPC
Doxpicomine SCHEMBL29658207 0.77 TSHR (0.37) CFTRSLC6A2SLC6A4SLC6A3GOPC
Doxpicomine SCHEMBL122961 0.77 TSHR (0.37) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11860493 0.77 TSHR (0.37) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11869198 0.75 CFTR (0.40) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11862272 0.73 OPRM1 (0.36) CFTRSLC6A2SLC6A4SLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278338-B2 Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety GRUENENTHAL GMBH (DE) 2012-10-02 US claimed
EP-1758860-B1 SATURATED AND UNSATURATED 3-PYRIDYL-BENZOCYCLOALKYLMETHYL-AMINES FOR USE IN THE TREATMENT OF PAINS, DEPRESSIONS AND ANXIETY STATES GRUENENTHAL GMBH (DE) 2009-09-02 EP claimed
US-20070203192-A1 Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety GRUENENTHAL GMBH 2007-08-30 US claimed
US-8278338-B2 Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
US-20070203192-A1 Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety GRUENENTHAL GMBH 2007-08-30 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 (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-20070203192-A1 Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety OPRK1, OPRM1, OPRL1 CFTR 4515/4885SLC6A2 178/4885SLC6A4 154/4885

“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.