SCHEMBL4164944

SCHEMBL4164944

CCCN1CC2CC2(c2cnc3ccccc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
DRD3 P35462 5/20 0.40
DRD2 P14416 4/20 0.40
HTR3A P46098 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
SCHEMBL3469837 0.91 KCNH2 (0.39) KCNH2DRD3DRD2HTR3A
SCHEMBL3469782 0.84 SLC6A2 (0.48) HTR3A
SCHEMBL4183128 0.82 SLC6A4 (0.51) DRD2
Hydrochloric Acid SCHEMBL4177100 0.81 SLC6A4 (0.50) DRD2
SCHEMBL3469773 0.79 BMPR1B (0.41) HTR3A
SCHEMBL3470171 0.75 KCNH2 (0.41) KCNH2DRD3DRD2
SCHEMBL4248553 0.74 DRD2 (0.48) KCNH2DRD3DRD2
SCHEMBL4157695 0.72 HTR2A (0.40) KCNH2DRD3DRD2
SCHEMBL4074941 0.72 KCNH2 (0.43) KCNH2DRD3DRD2
SCHEMBL4183472 0.71 SLC6A2 (0.50) KCNH2DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204088-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ETHISMOS RESEARCH, INC. 2017-07-20 US disclosed
US-9597315-B2 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, methods for their preparation and their use as medicaments EUTHYMICS BIOSCIENCE, INC. (US) 2017-03-21 US disclosed
US-20160022634-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ETHISMOS RESEARCH, INC. 2016-01-28 US disclosed
EP-2167083-B1 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS EUTHYMICS BIOSCIENCE INC (US) 2015-10-28 EP disclosed
US-9133159-B2 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, methods for their preparation and their use as medicaments NEUROVANCE, INC. (US) 2015-09-15 US disclosed
US-20140303207-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes Methods For Their Preparation And Their Use As Medicaments NEUROVANCE, INC. (US) 2014-10-09 US disclosed
US-20090069374-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes, Methods For Their Preparation And Their Use As Medicaments ETHISMOS RESEARCH, INC. 2009-03-12 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 (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-20140303207-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes Methods For Their Preparation And Their Use As Medicaments HTR3C, HTR2C, CNR1 KCNH2 2124/4885DRD3 46/4885DRD2 58/4885
US-20160022634-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HTR3C, HTR2C, GRIN2C KCNH2 2251/4885DRD3 51/4885DRD2 64/4885
US-20170204088-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HTR3C, HTR2C, GRIN2C KCNH2 2251/4885DRD3 51/4885DRD2 64/4885
US-20090069374-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes, Methods For Their Preparation And Their Use As Medicaments HTR3C, HTR2C, GRIN2C KCNH2 2251/4885DRD3 51/4885DRD2 64/4885

“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.