SCHEMBL4776992

SCHEMBL4776992

CN1CCN(C(=O)C(N)Cc2cccs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.51
DPP4 P27487 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51
HSD17B10 Q99714 2/20 0.49
CHRM1 P11229 4/20 0.48
CYP2C19 P33261 1/20 0.47
MC4R P32245 3/20 0.47
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL4704200 0.86 HTT (0.53) CTSCDPP4DPP8DPP9CYP2C19
SCHEMBL4775325 0.84 CYP2C19 (0.51) CTSCDPP4DPP8DPP9CYP2C19
SCHEMBL4772798 0.83 HDAC8 (0.65) CTSCDPP4DPP8DPP9CYP2C19
SCHEMBL4794560 0.83 HDAC8 (0.65) CTSCDPP4DPP8DPP9CYP2C19
SCHEMBL4773312 0.82 DPP8 (0.47) CTSCDPP4DPP8DPP9CYP2C19
SCHEMBL4775618 0.82 ALDH1A1 (0.51) CTSCDPP8CYP2C19RAB9A
SCHEMBL16160203 0.80 CHRM1 (0.41) CTSCDPP4HSD17B10CHRM1RAB9A
SCHEMBL4774404 0.80 KDM4E (0.50) DPP4HSD17B10CHRM1MC4RHTT
SCHEMBL11226904 0.79 HSD17B10 (0.71) DPP4HSD17B10CHRM1HDAC8
SCHEMBL7214004 0.79 HSD17B10 (0.71) DPP4HSD17B10CHRM1HDAC8

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 CTSC 401/4885DPP4 616/4885DPP8 1164/4885

“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.