SCHEMBL4773211

SCHEMBL4773211

NC(Cc1cccs1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.46
SCD5 Q86SK9 6/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSC P53634 4/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
DPP4 P27487 3/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
SCD O00767 2/20 0.42
SMYD3 Q9H7B4 1/20 0.41
MC4R P32245 1/20 0.41
OPRK1 P41145 1/20 0.40
TPSAB1 Q15661 1/20 0.40

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
SCHEMBL4778045 0.86 DPP4 (0.52) DPP4DPP8DPP9SMYD3OPRK1
SCHEMBL4778328 0.85 SCD5 (0.43) SCD5DPP4SCDSMYD3OPRK1
SCHEMBL4773416 0.84 DPP4 (0.47) SCD5DPP4DPP8DPP9SMYD3
SCHEMBL4770080 0.83 DPP4 (0.47) SCD5DPP4DPP8DPP9SCD
SCHEMBL4770753 0.82 SCD5 (0.42) SCD5RAB9ADPP4SCDSMYD3
SCHEMBL4775634 0.82 OPRD1 (0.55) DPP4DPP8DPP9SMYD3OPRK1
SCHEMBL4778103 0.81 AKT1 (0.55) DPP4DPP8DPP9
SCHEMBL4776948 0.81 DPP4 (0.50) DPP4DPP8DPP9SMYD3OPRK1
Hydrochloric Acid SCHEMBL4909763 0.80 AKT1 (0.54) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL4909750 0.80 AKT1 (0.54) DPP4DPP8DPP9

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 ADAM17 1571/4885SCD5 1212/4885NPC1 1095/4885

“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.