SCHEMBL20046098

SCHEMBL20046098

c1ccc(CN2CCOC3(CCNCC3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.58
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2C9 P11712 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
MGLL Q99685 3/20 0.55
SIGMAR1 Q99720 5/20 0.53
CYP3A4 P08684 2/20 0.49
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
OPRM1 P35372 1/20 0.45
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43

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
Hydrochloric Acid SCHEMBL31716831 0.99 CYP2D6 (0.57) CYP2D6TSHRALDH1A1CYP2C19MEN1
SCHEMBL26552039 0.90 MGLL (0.60) CYP2D6MGLLSIGMAR1CYP3A4CHRM2
SCHEMBL21254493 0.87 MGLL (0.58) CYP2D6TSHRMGLLSIGMAR1CYP3A4
SCHEMBL21254504 0.85 MGLL (0.57) CYP2D6ALDH1A1MGLLSIGMAR1CYP3A4
SCHEMBL18785020 0.84 MGLL (0.56) CYP2D6MGLLSIGMAR1CYP3A4CHRM2
SCHEMBL18719631 0.83 MGLL (0.58) CYP2D6MGLLSIGMAR1CHRM2CHRM3
SCHEMBL17318952 0.81 SIGMAR1 (0.58) CYP2D6TSHRKMT2AMGLLSIGMAR1
SCHEMBL13115964 0.81 TSHR (0.56) CYP2D6TSHRALDH1A1CYP2C19MEN1
SCHEMBL17319038 0.80 MGLL (0.70) CYP2D6TSHRALDH1A1MGLLSIGMAR1
SCHEMBL21254338 0.80 MGLL (0.55) CYP2D6TSHRALDH1A1MGLLSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2022-02-01 US disclosed
EP-3571202-B1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2021-06-30 EP disclosed
EP-3571202-B1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2021-06-30 EP disclosed
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2021-06-10 US disclosed
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-02-11 US disclosed
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-01-14 US disclosed
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors PFIZER INC. (US) 2020-12-08 US disclosed
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors PFIZER INC. (US) 2020-12-08 US disclosed
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2020-11-24 US disclosed
US-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2019-09-26 US disclosed
US-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2019-09-26 US disclosed
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2018-07-26 US disclosed
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2018-07-26 US disclosed
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2018-07-26 US disclosed
WO-2018134698-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 WO disclosed
WO-2018134698-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 WO 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 (10 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-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC CYP2D6 865/4885TSHR 4221/4885ALDH1A1 408/4885
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CYP2D6 2827/4885TSHR 1662/4885ALDH1A1 798/4885
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CYP2D6 2949/4885TSHR 1689/4885ALDH1A1 824/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CYP2D6 2949/4885TSHR 1689/4885ALDH1A1 824/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CYP2D6 2827/4885TSHR 1662/4885ALDH1A1 798/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CYP2D6 2949/4885TSHR 1689/4885ALDH1A1 824/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN CYP2D6 2949/4885TSHR 1689/4885ALDH1A1 824/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN CYP2D6 2827/4885TSHR 1662/4885ALDH1A1 798/4885
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC CYP2D6 865/4885TSHR 4221/4885ALDH1A1 408/4885
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors MAG, MAGI3, APC CYP2D6 865/4885TSHR 4221/4885ALDH1A1 408/4885

“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.