SCHEMBL5288319

SCHEMBL5288319

Cc1cc(-c2ccccc2)nn1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
CNR1 P21554 3/20 0.52
CNR2 P34972 2/20 0.52
KCNJ6 P48051 7/20 0.46
KCNJ3 P48549 7/20 0.46
KCNJ5 P48544 6/20 0.46
NSD3 Q9BZ95 1/20 0.43
FABP3 P05413 3/20 0.42
FABP4 P15090 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 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
SCHEMBL5288314 0.81 CNR1 (0.52) HPGDCNR1CNR2KCNJ6KCNJ3
SCHEMBL22633243 0.81 HPGD (0.57) HPGDCNR1CNR2KCNJ6KCNJ3
SCHEMBL21187503 0.79 CYP4F2 (0.43) HPGDCNR1CNR2NSD3KDM4E
SCHEMBL9057110 0.78 CNR1 (0.49) HPGDCNR1CNR2KCNJ6KCNJ3
SCHEMBL31462462 0.74 ALDH1A1 (0.49) HPGDKCNJ6KCNJ3KCNJ5KDM4E
SCHEMBL3364096 0.74 ALDH1A1 (0.49) HPGDKCNJ6KCNJ3KCNJ5KDM4E
SCHEMBL5285406 0.74 CNR1 (0.48) CNR1CNR2KCNJ6KCNJ3KCNJ5
SCHEMBL21191294 0.73 ALDH1A1 (0.42) HPGDCNR2KCNJ6KCNJ3KCNJ5
SCHEMBL15319933 0.73 HPGD (0.55) HPGDCNR1CNR2KCNJ6KCNJ3
SCHEMBL23748795 0.72 KDM4E (0.46) HPGDKCNJ6KCNJ3KCNJ5KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HPGD 1825/4885CNR1 3561/4885CNR2 3256/4885

“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.