SCHEMBL20046658

SCHEMBL20046658

CCc1ccc(-n2cc(C(C)C)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2B Q13224 4/20 0.41
PTGS2 P35354 1/20 0.41
S1PR1 P21453 1/20 0.41
MIF P14174 4/20 0.40
AMY1A P0DUB6 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
NOTUM Q6P988 2/20 0.38
ESRRA P11474 1/20 0.38
CD74 P04233 1/20 0.38
KCNH2 Q12809 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL13160180 0.81 NOTUM (0.51) AMY1ANOTUMESRRAKCNH2
SCHEMBL13183607 0.81 NOTUM (0.53) RXRAGRIN1GRIN2BPTGS2NOTUM
SCHEMBL9729936 0.79 FLT3 (0.46) RXRAGRIN1GRIN2BPTGS2MIF
SCHEMBL13119830 0.79 P2RX7 (0.50) PTGS2MIFNOTUMESRRACD74
SCHEMBL26326038 0.77 RXRA (0.47) RXRAGRIN1GRIN2BPTGS2S1PR1
SCHEMBL19589440 0.77 MAOA (0.50) RXRAGRIN1GRIN2BNOTUMESRRA
SCHEMBL25898936 0.77 ESRRA (0.48) S1PR1AMY1ANOTUMESRRA
SCHEMBL23008630 0.76 CYP1B1 (0.37) RXRAGRIN1GRIN2BEGLN2NOTUM
SCHEMBL22185933 0.75 NOTUM (0.55) RXRAGRIN1GRIN2BPTGS2AMY1A
SCHEMBL24908501 0.75 NOTUM (0.55) NOTUMKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 US disclosed
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2022-02-01 US disclosed
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-01-14 US disclosed
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2018-04-12 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 (4 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-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN RXRA 1279/4885GRIN1 598/4885GRIN2B 950/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN RXRA 1335/4885GRIN1 585/4885GRIN2B 938/4885
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A RXRA 510/4885GRIN1 2085/4885GRIN2B 1726/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN RXRA 1279/4885GRIN1 598/4885GRIN2B 950/4885

“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.