SCHEMBL1817807

SCHEMBL1817807

CC(C)c1c[c]ccc1OCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HTR1B P28222 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CARM1 Q86X55 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 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
SCHEMBL28463114 0.83 ALDH1A1 (0.41) KDM4EL3MBTL1MEN1CYP1A2CYP3A4
SCHEMBL21268198 0.83 CYP1A2 (0.39) L3MBTL1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7389250 0.76 KDM4E (0.42) KDM4EHTR1BL3MBTL1TP53MAPK1
SCHEMBL183184 0.76 KDM4E (0.47) KDM4EHTR1BL3MBTL1TP53MAPK1
SCHEMBL28571285 0.75 CYP2D6 (0.37) KDM4EMAPK1MEN1CYP1A2CYP3A4
SCHEMBL1290474 0.75 KDM4E (0.61) KDM4EHTR1BL3MBTL1TP53MAPK1
SCHEMBL1299208 0.74 POLB (0.35) L3MBTL1MAPK1MEN1CYP1A2CYP3A4
SCHEMBL27690633 0.74 CYP1A2 (0.40) HTR1BMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL28166627 0.74 MAPT (0.45) KDM4EL3MBTL1MAPK1CYP1A2CYP2C9
SCHEMBL16240200 0.74 KDM4E (0.44) KDM4EHTR1BTP53MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499282-B1 GAMMA-SECRETASE MODULATORY COMPOUNDS, METHODS FOR IDENTIFYING SAME, AND USES THEREFOR NEUROGENETIC PHARMACEUTICALS INC (US) 2015-04-22 EP disclosed
US-8871460-B2 Gamma-secretase modulatory compounds, methods for identifying same, and uses therefor NEUROGENETIC PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
US-20120289558-A1 GAMMA-SECRETASE MODULATORY COMPOUNDS, METHODS FOR IDENTIFYING SAME, AND USES THEREFOR NEUROGENETIC PHARMACEUTICALS, INC. 2012-11-15 US disclosed
EP-2499282-A2 GAMMA-SECRETASE MODULATORY COMPOUNDS, METHODS FOR IDENTIFYING SAME, AND USES THEREFOR NeuroGenetic Pharmaceuticals, Inc. (US) 2012-09-19 EP disclosed
WO-2011057214-A2 GAMMA-SECRETASE MODULATORY COMPOUNDS, METHODS FOR IDENTIFYING SAME, AND USES THEREFOR NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-05-12 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-20120289558-A1 GAMMA-SECRETASE MODULATORY COMPOUNDS, METHODS FOR IDENTIFYING SAME, AND USES THEREFOR BACE1, GSAP, BACE2 KDM4E 3502/4885HTR1B 4009/4885L3MBTL1 1231/4885

“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.