SCHEMBL19802020

SCHEMBL19802020

CC(C)(C)c1cnc2c(CC(C)(C)c3cnc4cnccc4c3)cncc2c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL13619364 0.80 HPGDS (0.43) HPGDSTRPV1
SCHEMBL26828845 0.77 HPGDS (0.33) HPGDSTRPV1
SCHEMBL10249921 0.72 KIF11 (0.38) TRPV1
SCHEMBL25878168 0.67 CLK1 (0.45)
SCHEMBL29297291 0.66 HSP90AA1 (0.32)
SCHEMBL22446609 0.66 TRPV1 (0.36) TRPV1
SCHEMBL19386405 0.66 HPGDS (0.40) HPGDS
SCHEMBL20932781 0.65 PDGFRB (0.41) TRPV1
SCHEMBL14327674 0.63 CCR1 (0.52)
SCHEMBL21497381 0.62 PRKCZ (0.35) TRPV1

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-20180022730-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 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-20180022730-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF DDR1, DDR2, DDRGK1 HPGDS 1535/4885TRPV1 1829/4885

“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.