SCHEMBL2183541

SCHEMBL2183541

COc1ccc(CN(C)c2cc[c]cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.46
ALDH1A1 P00352 3/20 0.46
APLNR P35414 2/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSPO P30536 1/20 0.43
AOC3 Q16853 1/20 0.42
IDO1 P14902 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 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
SCHEMBL19302284 0.87 PYCR1 (0.53) PYCR1ALDH1A1APLNRHTTSMN1; SMN2
SCHEMBL19057672 0.82 LTA4H (0.55) PYCR1ALDH1A1APLNRLMNAACHE
SCHEMBL12526817 0.81 ACHE (0.54) PYCR1ALDH1A1APLNRHTTSMN1; SMN2
SCHEMBL29336627 0.79 BCL2A1 (0.56) PYCR1ALDH1A1APLNRHTTSMN1; SMN2
SCHEMBL29336359 0.79 MEN1 (0.50) PYCR1ALDH1A1APLNRHTTSMN1; SMN2
SCHEMBL10464560 0.79 PYCR1 (0.43) PYCR1ALDH1A1HTTAOC3TSHR
SCHEMBL14266667 0.79 TSHR (0.57) ALDH1A1LMNAACHETSHR
SCHEMBL863542 0.78 TSHR (0.50) PYCR1ALDH1A1AOC3LMNATSHR
Hydrochloric Acid SCHEMBL3259774 0.78 LMNA (0.50) PYCR1ALDH1A1APLNRHTTSMN1; SMN2
SCHEMBL29336368 0.77 CYP19A1 (0.56) ACHEPARP1TSHR

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
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
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 PYCR1 3694/4885ALDH1A1 3262/4885APLNR 724/4885

“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.