Sugi Predict

Sugi Predict / Compounds / SCHEMBL13698294

SCHEMBL13698294

SCHEMBL13698294

CCN1CB(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ LMNA P02545 2/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ PNMT P11086 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL14136285 0.86 SIGMAR1 (0.50) SIGMAR1CYP2D6CYP1A2TMEM97PNMT
SCHEMBL13698268 0.83 SIGMAR1 (0.52) SIGMAR1LMNACYP2D6CYP1A2TMEM97
SCHEMBL13698270 0.79 CYP2D6 (0.42) SIGMAR1ALDH1A1LMNACYP2D6CYP1A2
SCHEMBL10163611 0.64 BCL2A1 (0.63) SIGMAR1ALDH1A1HPGDDUSP3PTPN5
SCHEMBL13698300 0.64 RAB9A (0.36) ALDH1A1SLC6A2MAPT
SCHEMBL27015512 0.62 DRD2 (0.53) SIGMAR1ALDH1A1HPGDDUSP3PTPN5
SCHEMBL17899580 0.62 MAPT (0.59) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL13698240 0.61 SLC6A2 (0.57) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL25555551 0.60 SIGMAR1 (0.40) SIGMAR1ALDH1A1HPGDDUSP3PTPN5
SCHEMBL25903891 0.60 PNMT (0.41) SIGMAR1ALDH1A1HPGDDUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461196-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders DOV PHARMACEUTICAL 2013-06-11 — — US disclosed
US-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2012-11-29 — — US disclosed
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2009-09-17 — — 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 (2 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-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SIGMAR1 1402/4885ALDH1A1 176/4885HPGD 1959/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SIGMAR1 1402/4885ALDH1A1 176/4885HPGD 1959/4885

“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.