SCHEMBL2994992

SCHEMBL2994992

CC(C)CCNCc1ccc(Oc2ccc(C(N)=O)cc2Cl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 4/20 0.47
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.44
ESRRA P11474 4/20 0.41
KCNH2 Q12809 3/20 0.40
HTR2A P28223 1/20 0.40
SLC2A1 P11166 3/20 0.39
OPRK1 P41145 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL2993998 0.88 CARM1 (0.42) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL2994296 0.85 OPRM1 (0.46) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL2992843 0.82 SLC2A1 (0.39) SLC6A2SLC6A3LMNAMAPTKCNH2
SCHEMBL2993233 0.81 OPRM1 (0.48) SLC6A2SLC6A3KCNH2SLC2A1OPRK1
SCHEMBL2982637 0.80 AR (0.48) SLC6A4SLC6A2SLC6A3ESRRAKCNH2
SCHEMBL3693713 0.79 OPRK1 (0.49) SLC6A4SLC6A2SLC6A3MAPTKCNH2
SCHEMBL2996008 0.76 OPRM1 (0.47) LMNASLC2A1OPRM1MEN1KMT2A
SCHEMBL3704778 0.76 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3LMNAKCNH2
Hydrochloric Acid SCHEMBL2983776 0.75 OPRM1 (0.46) LMNASLC2A1OPRM1MEN1KMT2A
SCHEMBL2983904 0.75 OPRM1 (0.46) SLC6A2SLC6A3KCNH2OPRK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US claimed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US claimed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 SLC6A4 492/4885SLC6A2 522/4885SLC6A3 470/4885

“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.