SCHEMBL4170635

SCHEMBL4170635

CCCN1CC2CC2(c2cccc3ncccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
HTR4 Q13639 1/20 0.37
KCNH2 Q12809 8/20 0.36
DRD3 P35462 7/20 0.36
DRD2 P14416 5/20 0.36
HSD11B1 P28845 1/20 0.34

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
SCHEMBL3470011 0.91 MEN1 (0.37) MEN1KMT2AHRH3HTR2CKCNH2
SCHEMBL3470221 0.85 SLC6A2 (0.46) MEN1KMT2AHRH3HSD11B1
Hydrochloric Acid SCHEMBL17072323 0.84 SLC6A2 (0.45) MEN1KMT2AHRH3HSD11B1
SCHEMBL3470172 0.79 HSD11B1 (0.37) MEN1KMT2AHRH3HSD11B1
SCHEMBL13151670 0.74 DRD3 (0.71) KCNH2DRD3DRD2
SCHEMBL13069266 0.74 DRD3 (0.71) KCNH2DRD3DRD2
SCHEMBL14583966 0.74 DRD3 (0.71) KCNH2DRD3DRD2
SCHEMBL4164944 0.70 KCNH2 (0.40) HTR3AKCNH2DRD3DRD2
SCHEMBL3470097 0.69 SLC6A2 (0.40) KCNH2
SCHEMBL13151656 0.69 SLC6A2 (0.40) KCNH2

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 MEN1 1102/4885KMT2A 1838/4885HRH3 621/4885
US-20160022634-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HTR3C, HTR2C, GRIN2C MEN1 1025/4885KMT2A 1841/4885HRH3 655/4885
US-20170204088-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HTR3C, HTR2C, GRIN2C MEN1 1025/4885KMT2A 1841/4885HRH3 655/4885
US-20090069374-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes, Methods For Their Preparation And Their Use As Medicaments HTR3C, HTR2C, GRIN2C MEN1 1025/4885KMT2A 1841/4885HRH3 655/4885

“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.