SCHEMBL14768550

SCHEMBL14768550

CCc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.70
NR1H2 P55055 2/20 0.62
ESR1 P03372 3/20 0.46
MAPK1 P28482 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.45
ABHD6 Q9BV23 2/20 0.45
HDAC1 Q13547 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 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
SCHEMBL12376466 0.95 NR1H2 (0.69) ESR2NR1H2ESR1MAPK1HDAC6
SCHEMBL168265 0.90 ESR2 (0.70) ESR2NR1H2ESR1MAPK1HDAC8
SCHEMBL29407529 0.90 ESR2 (0.70) ESR2NR1H2ESR1MAPK1HDAC8
SCHEMBL29407315 0.89 ESR2 (0.69) ESR2NR1H2ESR1MAPK1HDAC8
SCHEMBL1773518 0.89 ESR2 (0.69) ESR2NR1H2ESR1MAPK1HDAC8
SCHEMBL166101 0.89 ESR2 (0.69) ESR2NR1H2ESR1MAPK1HDAC8
Bromide SCHEMBL31337580 0.88 ESR2 (0.67) ESR2NR1H2ESR1MAPK1HDAC8
SCHEMBL1365302 0.88 ESR2 (0.67) ESR2NR1H2ESR1MAPK1HDAC8
SCHEMBL19734896 0.86 ESR2 (0.70) ESR2NR1H2ESR1MAPK1HDAC8
SCHEMBL1773799 0.85 ESR2 (0.65) ESR2NR1H2ESR1MAPK1HDAC8

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 US disclosed
US-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 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-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B1 ESR2 3478/4885NR1H2 2154/4885ESR1 3807/4885

“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.