SCHEMBL2989346

SCHEMBL2989346

CCC[C@H]1CC[C@@H](NCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 1/20 0.56
ACHE P22303 7/20 0.51
BACE1 P56817 7/20 0.51
BCHE P06276 5/20 0.51
OPRM1 P35372 2/20 0.50
OPRL1 P41146 2/20 0.50
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
FABP6 P51161 1/20 0.46

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
SCHEMBL2991248 1.00 GRIN2B (0.56) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL2989349 1.00 GRIN2B (0.56) GRIN2BMEN1KMT2ARAB9AACHE
Hydrochloric Acid SCHEMBL2992400 0.98 MEN1 (0.58) GRIN2BMEN1KMT2ARAB9AACHE
Hydrochloric Acid SCHEMBL2992401 0.98 MEN1 (0.58) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL17335875 0.86 GRIN2B (0.59) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL17335932 0.86 GRIN2B (0.59) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL17335880 0.86 GRIN2B (0.59) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL25046233 0.84 BCHE (0.49) MEN1KMT2ARAB9AACHEBACE1
SCHEMBL663239 0.84 GRIN2B (0.74) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL25802864 0.82 GRIN2B (0.62) GRIN2BMEN1KMT2ARAB9AACHE

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 6 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 disclosed
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
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 GRIN2B 306/4885MEN1 4566/4885KMT2A 1758/4885

“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.