SCHEMBL20186443

SCHEMBL20186443

O=C(O)NC1CCc2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
P2RX7 Q99572 5/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ADORA2A P29274 1/20 0.42
SLC40A1 Q9NP59 6/20 0.42
MAPK1 P28482 1/20 0.40
OPRL1 P41146 1/20 0.40
KCNH2 Q12809 1/20 0.40
RIPK1 Q13546 1/20 0.39

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
SCHEMBL31678106 0.86 TRPV1 (0.52) TRPV1P2RX7HDAC1HDAC6ADORA2A
SCHEMBL14012294 0.86 TRPV1 (0.52) TRPV1P2RX7HDAC1HDAC6ADORA2A
SCHEMBL5053483 0.86 TRPV1 (0.52) TRPV1P2RX7HDAC1HDAC6ADORA2A
SCHEMBL26790233 0.82 MTNR1A (0.51) TRPV1P2RX7HDAC1HDAC6ADORA2A
SCHEMBL30096647 0.78 HDAC1 (0.49) TRPV1P2RX7HDAC1HDAC6ADORA2A
SCHEMBL4016626 0.78 TRPV1 (0.51) TRPV1P2RX7HDAC1HDAC6ADORA2A
SCHEMBL31059308 0.78 HDAC1 (0.54) TRPV1P2RX7HDAC1HDAC6ADORA2A
SCHEMBL5051444 0.78 HDAC1 (0.54) TRPV1P2RX7HDAC1HDAC6ADORA2A
SCHEMBL5051439 0.78 HDAC1 (0.54) TRPV1P2RX7HDAC1HDAC6ADORA2A
SCHEMBL14012211 0.78 HDAC1 (0.54) TRPV1P2RX7HDAC1HDAC6ADORA2A

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-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 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 (2 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D TRPV1 529/4885P2RX7 1871/4885HDAC1 1571/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D TRPV1 529/4885P2RX7 1871/4885HDAC1 1571/4885

“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.