SCHEMBL4776864

SCHEMBL4776864

NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
DPP7 Q9UHL4 2/20 0.48
DPP4 P27487 3/20 0.48
FAP Q12884 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
CACNA1B Q00975 1/20 0.47
PRMT5 O14744 3/20 0.46
YAP1 P46937 5/20 0.46
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
F10 P00742 1/20 0.45
TACR1 P25103 1/20 0.45

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 0.90 DPP4 (0.52) DPP7DPP4FAPDPP8DPP9
SCHEMBL4775634 0.88 OPRD1 (0.55) DPP7DPP4FAPDPP8DPP9
SCHEMBL4776948 0.85 DPP4 (0.50) HRH2HRH1DPP7DPP4FAP
SCHEMBL4778103 0.85 AKT1 (0.55) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL4909763 0.84 AKT1 (0.54) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL4909750 0.84 AKT1 (0.54) DPP7DPP4FAPDPP8DPP9
SCHEMBL4770080 0.83 DPP4 (0.47) HRH2HRH1DPP7DPP4FAP
SCHEMBL7371920 0.83 NPC1 (0.58) HRH2HRH1DPP7DPP4FAP
SCHEMBL4778510 0.82 AKT1 (0.50) DPP7DPP4FAPDPP8DPP9
SCHEMBL2376093 0.80 HDAC8 (0.59) DPP7DPP4FAPDPP8DPP9

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 HRH2 489/4885HRH1 392/4885DPP7 921/4885

“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.