SCHEMBL4074910

SCHEMBL4074910

COc1ccc(C23CC2CN(C(C)C)C3)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
BMPR1B O00238 6/20 0.41
BMPR1A P36894 6/20 0.41
TGFBR1 P36897 6/20 0.41
ACVRL1 P37023 6/20 0.41
ACVR1 Q04771 6/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4248782 0.83 KCNH2 (0.45) SLC6A4SLC6A2SLC6A3BMPR1BBMPR1A
SCHEMBL4072727 0.83 KCNH2 (0.45) SLC6A4SLC6A2SLC6A3BMPR1BBMPR1A
SCHEMBL6003397 0.83 KCNH2 (0.45) SLC6A4SLC6A2SLC6A3BMPR1BBMPR1A
Hydrochloric Acid SCHEMBL5443600 0.82 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3BMPR1BBMPR1A
SCHEMBL20995218 0.82 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995219 0.82 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4072181 0.82 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL11462222 0.81 SMN1; SMN2 (0.46) SLC6A4SLC6A2SLC6A3BMPR1BBMPR1A
Hydrochloric Acid SCHEMBL11080383 0.80 SMN1; SMN2 (0.45) SLC6A4SLC6A2SLC6A3BMPR1BBMPR1A
SCHEMBL6002406 0.79 BMPR1B (0.48) SLC6A4SLC6A2SLC6A3BMPR1BBMPR1A

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
WO-2006087195-A2 DYE COMPOSITION COMPRISING AT LEAST ONE METHINE DYE OF PARTICULAR STRUCTURE AND PROCESS FOR IMPLEMENTATION THEREOF L'OREAL (FR) 2006-08-24 WO claimed
EP-1874298-A4 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV PHARMACEUTICAL INC (US) 2009-08-05 EP disclosed
EP-1874298-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV Pharmaceutical Inc. (US) 2008-01-09 EP disclosed
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 US disclosed
WO-2006096810-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3.1.0] HEXANES DOV PHARMACEUTICAL, INC. (US) 2006-09-14 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-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 SLC6A4 44/4885SLC6A2 14/4885SLC6A3 2/4885

“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.