SCHEMBL2818102

SCHEMBL2818102

CC(=O)Nc1ccc2c(c1)CCCC2O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.54
BAZ2B Q9UIF8 1/20 0.54
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MTNR1A P48039 1/20 0.46
QPCT Q16769 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
CYP1A2 P05177 2/20 0.44
ADRA2A P08913 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7476527 0.91 PYGL (0.52) PYGLBAZ2BRAB9ANPC1MTNR1A
SCHEMBL12256797 0.88 MTNR1A (0.55) PYGLBAZ2BRAB9ANPC1MTNR1A
SCHEMBL3534317 0.84 BAZ2B (0.52) BAZ2BRAB9ANPC1MTNR1ACHRNB2
SCHEMBL10749940 0.81 BAZ2B (0.52) BAZ2BRAB9ANPC1MTNR1ACHRNB2
SCHEMBL10754441 0.81 BAZ2B (0.49) PYGLBAZ2BRAB9ANPC1MTNR1A
SCHEMBL12682228 0.78 MTNR1A (0.50) BAZ2BRAB9ANPC1MTNR1ACHRNB2
SCHEMBL610795 0.77 PYGL (0.53) PYGLRAB9ANPC1QPCTCYP1A2
SCHEMBL24437083 0.77 HDAC1 (0.54) PYGL
SCHEMBL22517054 0.77 PYGL (0.47) PYGLRAB9ANPC1QPCTCYP1A2
SCHEMBL17114490 0.77 RORC (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 PYGL 351/4885BAZ2B 1580/4885RAB9A 3541/4885

“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.