SCHEMBL18314725

SCHEMBL18314725

CCCc1cc(N)nc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.48
NOS3 P29474 7/20 0.48
NOS1 P29475 7/20 0.48
IKBKB O14920 1/20 0.34
BACE1 P56817 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

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
SCHEMBL18315118 0.83 NOS2 (0.45) NOS2NOS3NOS1GABRPGABRD
SCHEMBL18310670 0.78 NOS2 (0.43) NOS2NOS3NOS1IKBKB
SCHEMBL18310645 0.78 NOS2 (0.43) NOS2NOS3NOS1IKBKBBACE1
SCHEMBL17229299 0.75 NOS2 (0.44) NOS2NOS3NOS1
SCHEMBL24755263 0.73 NOS2 (0.50) NOS2NOS3NOS1BACE1GABRP
SCHEMBL24900076 0.70 S1PR2 (0.47) NOS2NOS3NOS1IKBKB
SCHEMBL17232460 0.69 NOS2 (0.44) NOS2NOS3NOS1GABRPGABRD
SCHEMBL3673476 0.69 NOS2 (0.48) NOS2NOS3NOS1BACE1GABRP
SCHEMBL13981267 0.68 ALDH1A1 (0.36) NOS2NOS3NOS1
SCHEMBL17236140 0.68 NOS2 (0.42) NOS2NOS3NOS1GABRPGABRD

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-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 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-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 NOS2 3653/4885NOS3 2799/4885NOS1 3596/4885

“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.