SCHEMBL4072181

SCHEMBL4072181

CC(C)N1CC2CC2(c2ccc(F)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 6/20 0.42
BMPR1A P36894 6/20 0.42
TGFBR1 P36897 6/20 0.42
ACVRL1 P37023 6/20 0.42
ACVR1 Q04771 6/20 0.42
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
SCHEMBL4072735 0.89 BMPR1B (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4072727 0.86 KCNH2 (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4248782 0.86 KCNH2 (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6003397 0.86 KCNH2 (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995219 0.84 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Hydrochloric Acid SCHEMBL5443600 0.84 SLC6A2 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995218 0.84 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL11462222 0.84 SMN1; SMN2 (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4180285 0.84 SLC6A2 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4077178 0.84 DRD3 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 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 BMPR1B 361/4885BMPR1A 605/4885TGFBR1 2500/4885

“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.