SCHEMBL12515331

SCHEMBL12515331

COc1ccc(C(=O)O)c(CN2CCN(C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.51
NPC1 O15118 1/20 0.51
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HTR6 P50406 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.48
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14551133 0.89 MTNR1B (0.51) MTNR1BNPC1KDM4EALDH1A1HTR6
SCHEMBL12519401 0.88 MTNR1B (0.50) MTNR1BNPC1KDM4EALDH1A1HTR6
SCHEMBL12726156 0.88 KMT2A (0.52) MTNR1BNPC1KDM4EALDH1A1MEN1
SCHEMBL11021480 0.86 MTNR1B (0.48) MTNR1BNPC1KDM4EALDH1A1HTR6
SCHEMBL2217484 0.85 KDM4E (0.55) NPC1KDM4EALDH1A1RECQLLMNA
SCHEMBL21538245 0.79 KDM4E (0.67) NPC1KDM4EALDH1A1HTR6MEN1
SCHEMBL5178312 0.78 BACE1 (0.57) KDM4EALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3454127 0.77 HDAC3 (0.56) KDM4EALDH1A1HTR6KMT2ALMNA
SCHEMBL12726159 0.77 L3MBTL1 (0.55) MTNR1BKDM4EALDH1A1MEN1KMT2A
SCHEMBL687106 0.76 KDM4E (0.53) NPC1KDM4EALDH1A1LMNAPOLB

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-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011085261-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 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-20130012513-A1 HEDGEHOG INHIBITORS SHH, SMO, GLI1 MTNR1B 1300/4885NPC1 349/4885KDM4E 2019/4885

“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.