SCHEMBL4863154

SCHEMBL4863154

CN(C)CC1CCCCCC=C1c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
PPARA Q07869 2/20 0.41
ALDH1A1 P00352 2/20 0.39
NPY5R Q15761 1/20 0.39
CYP2A6 P11509 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP11B2 P19099 1/20 0.38
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 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
SCHEMBL4863146 1.00 GBA1 (0.42) GBA1CHRNB2CHRNA3CHRNA4PPARA
Hydrochloric Acid SCHEMBL4871380 0.99 GBA1 (0.41) GBA1CHRNB2CHRNA3CHRNA4PPARA
Hydrochloric Acid SCHEMBL4871366 0.99 GBA1 (0.41) GBA1CHRNB2CHRNA3CHRNA4PPARA
SCHEMBL4870385 0.99 CHRNB2 (0.43) GBA1CHRNB2CHRNA3CHRNA4PPARA
Hydrochloric Acid SCHEMBL4864411 0.97 CHRNB2 (0.42) GBA1CHRNB2CHRNA3CHRNA4PPARA
SCHEMBL4861396 0.95 CHRNB2 (0.44) GBA1CHRNB2CHRNA3CHRNA4PPARA
Hydrochloric Acid SCHEMBL4861323 0.93 CHRNB2 (0.43) GBA1CHRNB2CHRNA3CHRNA4PPARA
SCHEMBL4868803 0.89 CHRNB2 (0.49) GBA1CHRNB2CHRNA3CHRNA4PPARA
Hydrochloric Acid SCHEMBL4862141 0.88 CHRNB2 (0.48) GBA1CHRNB2CHRNA3CHRNA4PPARA
SCHEMBL4870450 0.83 TSHR (0.33) ALDH1A1CYP2C19CYP2D6KDM4E

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-7384961-B2 Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants GRUENENTHAL GMBH (DE) 2008-06-10 US claimed
EP-1572653-B1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS GRUENENTHAL GMBH (DE) 2007-11-21 EP claimed
JP-2006523182-A 2006-10-12 JP claimed
US-20060025456-A1 Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants GRUENENTHAL GMBH (DE) 2006-02-02 US claimed
EP-1572653-A1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS Grünenthal GmbH (DE) 2005-09-14 EP claimed
WO-2004063161-A1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS Grünenthal GmbH (DE) 2004-07-29 WO claimed
US-7384961-B2 Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants GRUENENTHAL GMBH (DE) 2008-06-10 US disclosed
EP-1572653-B1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS GRUENENTHAL GMBH (DE) 2007-11-21 EP disclosed
US-20060025456-A1 Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants GRUENENTHAL GMBH (DE) 2006-02-02 US disclosed
EP-1572653-A1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS Grünenthal GmbH (DE) 2005-09-14 EP disclosed
WO-2004063161-A1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS Grünenthal GmbH (DE) 2004-07-29 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-20060025456-A1 Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants OPRK1, OPRM1, HTR1A GBA1 1043/4885CHRNB2 256/4885CHRNA3 76/4885

“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.