SCHEMBL4773096

SCHEMBL4773096

CN1CCN(C(=O)C(N)Cc2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 12/20 0.44
▸ EPHX2 P34913 1/20 0.41
▸ HDAC8 Q9BY41 6/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 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
SCHEMBL4778375 0.87 HDAC8 (0.47) MC4REPHX2HDAC8HDAC3HDAC1
SCHEMBL4770951 0.76 CACNA2D1 (0.47) —
SCHEMBL4775840 0.76 HDAC8 (0.45) MC4REPHX2HDAC8HDAC3HDAC1
SCHEMBL4773483 0.75 MC4R (0.52) MC4RTSHR
SCHEMBL4776973 0.74 HDAC8 (0.47) MC4REPHX2HDAC8HDAC3HDAC1
SCHEMBL4778392 0.74 HDAC8 (0.50) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4795598 0.74 HDAC8 (0.50) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4775579 0.74 MEN1 (0.41) —
SCHEMBL4773474 0.73 HDAC8 (0.48) MC4REPHX2HDAC8HDAC3HDAC1
SCHEMBL4770954 0.73 HDAC8 (0.67) MC4RHDAC8HDAC3HDAC1HDAC2

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
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 — — EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 — — US claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 — — WO claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 — — EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 — — US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 — — 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 MC4R 1782/4885EPHX2 1332/4885HDAC8 16/4885

“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.

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