SCHEMBL741386

SCHEMBL741386

N#Cc1ccc2c(c1)CCCC21OCCn2cncc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
CYP19A1 P11511 6/20 0.39
CYP11B2 P19099 11/20 0.34
CYP11B1 P15538 5/20 0.34
SYK P43405 1/20 0.32
CYP3A4 P08684 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
PGR P06401 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL742444 0.93 KDM1A (0.39) KDM1ACYP19A1CYP11B2CYP11B1BACE1
SCHEMBL742434 0.92 CYP19A1 (0.42) KDM1ACYP19A1CYP11B2CYP11B1
SCHEMBL3368780 0.91 KDM1A (0.40) KDM1ACYP19A1CYP11B2CYP11B1BACE1
SCHEMBL3465560 0.89 KDM1A (0.39) KDM1ACYP19A1CYP11B2CYP11B1
SCHEMBL741384 0.85 KDM1A (0.40) KDM1ACYP19A1CYP11B2CYP11B1BACE1
SCHEMBL3367425 0.84 FASN (0.38) KDM1ACYP19A1CYP11B2CYP3A4
SCHEMBL3396999 0.83 CYP19A1 (0.37) KDM1ACYP19A1CYP11B2CYP11B1
SCHEMBL762940 0.83 CYP19A1 (0.34) CYP19A1
SCHEMBL3366407 0.82 FASN (0.37) KDM1ACYP3A4
SCHEMBL3365832 0.82 FASN (0.37) KDM1ACYP3A4

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-2010540-B1 SPIRO-IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2012-12-05 EP disclosed
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
WO-2007116098-A1 SPIRO-IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 KDM1A 3697/4885CYP19A1 104/4885CYP11B2 6/4885

“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.