SCHEMBL20375151

SCHEMBL20375151

CCCC(C)c1ccc(OC)nc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 6/20 0.35
PDE10A Q9Y233 5/20 0.33
PDE2A O00408 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
PDE7B Q9NP56 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GSR P00390 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
SCHEMBL21725548 0.81 PDE10A (0.40) PDE10A
SCHEMBL20375150 0.80 TXNRD1 (0.36) TXNRD1PDE10APDE2APOLBTDP1
SCHEMBL26421170 0.78 PDE10A (0.40) PDE10APDE2A
SCHEMBL21117240 0.72 HRH1 (0.39) PDE10A
SCHEMBL25640152 0.71 PDE10A (0.39) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL19578684 0.71 APOBEC3A (0.39)
SCHEMBL24974002 0.71 KDM4E (0.41)
SCHEMBL20729404 0.71 PDE2A (0.38) PDE2AMTNR1AMTNR1B
SCHEMBL18314711 0.71 TXNRD1 (0.38) TXNRD1PDE10AMTNR1AMTNR1BDRD2
SCHEMBL19591208 0.70 KCNH2 (0.39)

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 1 patent. 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

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 TXNRD1 2560/4885PDE10A 2089/4885PDE2A 1176/4885

“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.