SCHEMBL19892358

SCHEMBL19892358

CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H](n1c(N)nc3ccccc31)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.48
▸ CCR5 P51681 2/20 0.47
▸ TXK P42681 14/20 0.46
▸ ITK Q08881 14/20 0.46
▸ BTK Q06187 13/20 0.46
▸ TEC P42680 11/20 0.46
▸ OPRM1 P35372 2/20 0.45
▸ OGFRL1 Q5TC84 2/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ SCD5 Q86SK9 1/20 0.45
▸ OPRK1 P41145 1/20 0.45

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
SCHEMBL21303357 0.87 HDAC2 (0.48) CYP11B2CCR5TXKITKBTK
SCHEMBL21303470 0.86 TXK (0.45) CYP11B2TXKITKBTKTEC
SCHEMBL19892171 0.86 TXK (0.45) CYP11B2TXKITKBTKTEC
SCHEMBL21303468 0.85 CYP11B2 (0.44) CYP11B2CCR5TXKITKBTK
SCHEMBL19892194 0.85 CYP11B2 (0.44) CYP11B2CCR5TXKITKBTK
SCHEMBL9982687 0.82 OPRM1 (0.60) CCR5OPRM1OGFRL1OPRD1OPRK1
SCHEMBL19892449 0.82 ITK (0.64) TXKITKBTKTEC
SCHEMBL19892362 0.81 NAMPT (0.39) CYP11B2CCR5TXKITKBTK
SCHEMBL19892305 0.81 TEC (0.41) CYP11B2TXKITKBTKTEC
SCHEMBL19892436 0.80 SCD5 (0.38) CYP11B2CCR5TXKITKBTK

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-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof GB005, INC. (US) 2020-08-25 — — US disclosed
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF GB005, INC. 2019-08-29 — — US disclosed
WO-2018032104-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF PHARMASCIENCE INC. (CA) 2018-02-22 — — 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 (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-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof TEC, ITK, TXK CYP11B2 576/4885CCR5 1473/4885TXK 3/4885
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF TEC, ITK, TXK CYP11B2 576/4885CCR5 1473/4885TXK 3/4885

“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.

Send feedback