SCHEMBL21667904

SCHEMBL21667904

CC(C)OC[C@H]1CCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.40
CHRM3 P20309 12/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MRGPRX2 Q96LB1 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL2621584 1.00 NCF1 (0.40) NCF1CHRM3CHRM2CHRM1CYP1A2
SCHEMBL20715147 1.00 NCF1 (0.40) NCF1CHRM3CHRM2CHRM1CYP1A2
SCHEMBL12228108 0.89 NCF1 (0.46) NCF1
SCHEMBL23023339 0.88 CHRNB2 (0.39) CHRM3CHRM2CHRM1CYP2D6DRD3
SCHEMBL2621581 0.88 CHRNB2 (0.39) CHRM3CHRM2CHRM1CYP2D6DRD3
SCHEMBL10150997 0.85
SCHEMBL21941263 0.81 CHRM3 (0.35) NCF1CHRM3CHRM2CHRM1
SCHEMBL20711727 0.80 CHRM3 (0.36) CHRM3
SCHEMBL24127705 0.80 CHRM3 (0.36) CHRM3
SCHEMBL14032268 0.80 NCF1 (0.38) NCF1CHRM3CHRM2CHRM1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
EP-4105203-A1 SPIRO-CONDENSED INDOLE COMPOUNDS AS EHMT2 INHIBITORS Epizyme Inc (US) 2022-12-21 EP disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 US disclosed
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 US disclosed
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF Epizyme, Inc. 2020-10-08 US disclosed
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 US disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 US disclosed
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2020-02-06 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 (8 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 NCF1 1388/4885CHRM3 4139/4885CHRM2 3978/4885
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF HNMT, EHMT2, SHMT2 NCF1 1992/4885CHRM3 2797/4885CHRM2 1951/4885
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS SHMT1, BHMT, EHMT2 NCF1 2359/4885CHRM3 4308/4885CHRM2 3979/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 NCF1 1388/4885CHRM3 4139/4885CHRM2 3978/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS NCF1 2101/4885CHRM3 4759/4885CHRM2 4139/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT NCF1 2659/4885CHRM3 3609/4885CHRM2 3337/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 NCF1 1388/4885CHRM3 4139/4885CHRM2 3978/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT NCF1 2267/4885CHRM3 4324/4885CHRM2 3813/4885

“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.