SCHEMBL2184053

SCHEMBL2184053

N#Cc1ccccc1-c1c[c]ccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
GABRG2 P18507 4/20 0.45
GABRB3 P28472 4/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
PTPN5 P54829 1/20 0.41
TRPA1 O75762 1/20 0.40
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GALR3 O60755 1/20 0.36

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
SCHEMBL2752020 0.84 SMN1; SMN2 (0.39) ESR2GABRG2GABRB3GABRA5GABRA3
Water SCHEMBL3178714 0.79 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL27895577 0.79 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL29662886 0.79 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL223 0.79 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL2754405 0.79 STS (0.44) CYP19A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2751144 0.79 CYP19A1 (0.36) GABRG2GABRB3GABRA5GABRA3CYP19A1
SCHEMBL2749473 0.78 KDM4E (0.40) ESR2TSHRCYP1A2ALDH1A1CYP2C9
SCHEMBL3293761 0.78 ESR2 (0.62) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL18422585 0.78 CYP11B2 (0.40) ESR2GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
CN-101486683-B Pyridazinone and triazinone compounds and their use as pharmaceutical formulations Sanitary Material R&D Management Co.,Ltd. (JP) 2011-12-21 CN disclosed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 ESR2 661/4885GABRG2 489/4885GABRB3 459/4885

“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.