SCHEMBL3338258

SCHEMBL3338258

CC(=O)N1CCNCC1c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 2/20 0.39
POLB P06746 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TERT O14746 1/20 0.34

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
SCHEMBL1580100 0.86 POLB (0.54) DPP4DPP7POLB
SCHEMBL14833502 0.84 MMP1 (0.44) MAOAMAOB
SCHEMBL31542128 0.84 DPP4 (0.42) LMNADPP4DPP7HTR2AHTR2C
SCHEMBL7230204 0.82 ADRB1 (0.44)
SCHEMBL6984335 0.81 DPP4 (0.47) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL7400548 0.78 MAOB (0.39) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL7590748 0.77 POLB (0.42) DPP4DPP7MAOBPOLB
SCHEMBL14833618 0.76 CHRNA7 (0.45) LMNA
SCHEMBL16261916 0.76 DPP4 (0.41) DPP4DPP7MAOAMAOBHTR2A
Tert-Butyl Formate SCHEMBL28018953 0.75 POLB (0.43) DPP4DPP7HTR2AHTR2CPOLB

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-1278755-A2 AZOLE COMPOUNDS AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS Ranbaxy Laboratories, Limited (IN) 2003-01-29 EP claimed
WO-2001066551-A2 AZOLE COMPOUNDS AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS RANBAXY LABORATORIES LIMITED (IN) 2001-09-13 WO claimed
US-20100143455-A1 Triazole antifungal agents WU NIAN 2010-06-10 US disclosed
US-6670363-B1 2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol -1-yl) propyl)-4-(4-(4-(4-chlorophenyl)-1-piperazinyl)phenyl) -3-(2H,4H)-1,2,4-triazolone; opportunistic fungal infections RANBAXY LABORATORIES LIMITED (IN) 2003-12-30 US disclosed
EP-1278755-A2 AZOLE COMPOUNDS AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS Ranbaxy Laboratories, Limited (IN) 2003-01-29 EP disclosed
WO-2001066551-A2 AZOLE COMPOUNDS AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS RANBAXY LABORATORIES LIMITED (IN) 2001-09-13 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-20100143455-A1 Triazole antifungal agents CYP3A7, ERG28, UGT1A7 LMNA 4116/4885DPP4 2287/4885DPP7 311/4885

“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.