SCHEMBL6003397

SCHEMBL6003397

Cc1ccc([C@@]23C[C@@H]2CN(C(C)C)C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
BMPR1B O00238 6/20 0.43
BMPR1A P36894 6/20 0.43
TGFBR1 P36897 6/20 0.43
ACVRL1 P37023 6/20 0.43
ACVR1 Q04771 6/20 0.43
MGLL Q99685 1/20 0.41
DRD2 P14416 1/20 0.38
DRD3 P35462 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 1.00 KCNH2 (0.45) KCNH2SLC6A2SLC6A4SLC6A3BMPR1B
SCHEMBL4072727 1.00 KCNH2 (0.45) KCNH2SLC6A2SLC6A4SLC6A3BMPR1B
Hydrochloric Acid SCHEMBL5443600 0.98 SLC6A2 (0.44) KCNH2SLC6A2SLC6A4SLC6A3BMPR1B
SCHEMBL4072181 0.86 BMPR1B (0.42) KCNH2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL20995219 0.86 BMPR1B (0.42) KCNH2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL20995218 0.86 BMPR1B (0.42) KCNH2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL11462222 0.85 SMN1; SMN2 (0.46) KCNH2SLC6A2SLC6A4SLC6A3BMPR1B
Hydrochloric Acid SCHEMBL11080383 0.84 SMN1; SMN2 (0.45) KCNH2SLC6A2SLC6A4SLC6A3BMPR1B
SCHEMBL4074910 0.83 SLC6A4 (0.48) KCNH2SLC6A2SLC6A4SLC6A3BMPR1B
SCHEMBL6002406 0.83 BMPR1B (0.48) SLC6A2SLC6A4SLC6A3BMPR1BBMPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 KCNH2 936/4885SLC6A2 14/4885SLC6A4 44/4885

“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.