SCHEMBL2185307

SCHEMBL2185307

COc1cnc(-c2c[c]ccc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.37
OXTR P30559 4/20 0.36
AVPR1A P37288 2/20 0.36
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
CYP19A1 P11511 3/20 0.35
SIRT6 Q8N6T7 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1570069 0.79 HSD17B1 (0.53) OXTRHSD17B1HSD17B2CYP19A1KDR
SCHEMBL22116454 0.75 BTK (0.42) BACE1MAPTALDH1A1NPC1RAB9A
SCHEMBL1570014 0.73 FTO (0.42) HSD17B1HSD17B2MAPTALDH1A1SMN1; SMN2
SCHEMBL23601693 0.72 KDR (0.48) BACE1HSD17B1HSD17B2KDR
SCHEMBL19692831 0.71 CYP3A4 (0.54) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL21228179 0.71 HSD17B1 (0.71) HSD17B1HSD17B2HDAC6MEN1KMT2A
SCHEMBL29914764 0.71 HSD17B1 (0.71) HSD17B1HSD17B2HDAC6MEN1KMT2A
SCHEMBL16225132 0.70 ALOX5AP (0.48) OXTRAVPR1AMAPTALDH1A1GLA
SCHEMBL3544249 0.70 ALDH1A1 (0.39) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL2431863 0.70 CCR1 (0.58) CYP19A1SMN1; SMN2NPC1RAB9AKDR

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 BACE1 1/4885OXTR 4523/4885AVPR1A 4634/4885

“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.