SCHEMBL18314713

SCHEMBL18314713

COc1cc(F)c(C(C)C)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
TDO2 P48775 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
NNMT P40261 1/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE10A Q9Y233 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CYP1A2 P05177 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL14853045 0.81 RECQL (0.41) PDE2ALMNASMN1; SMN2TLR9TLR8
SCHEMBL15000234 0.77 PDE2A (0.31) PDE2ALMNASMN1; SMN2TLR9TLR8
SCHEMBL15000323 0.77 RECQL (0.41) PDE2ALMNASMN1; SMN2TLR9TLR8
SCHEMBL25928147 0.77 KDM5B (0.30) KDM5B
SCHEMBL18315102 0.76 PDE2A (0.37) PDE2ALMNASMN1; SMN2TDO2NNMT
SCHEMBL18310664 0.76 TLR9 (0.33) LMNATLR9TLR8TLR7KDM5B
SCHEMBL19589098 0.70 KDM4E (0.36) PDE2ALMNASMN1; SMN2TDO2KDM5B
SCHEMBL22623125 0.68 RECQL (0.40) PDE2ALMNASMN1; SMN2TLR9TLR8
SCHEMBL14853184 0.68 RECQL (0.37) PDE2ALMNASMN1; SMN2TLR9TLR8
SCHEMBL10290881 0.67 TAAR1 (0.47) ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 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-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 PDE2A 1176/4885LMNA 1759/4885SMN1; SMN2 4494/4885

“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.