SCHEMBL21491176

SCHEMBL21491176

N#Cc1cccc(C2COCCCN2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.54
PRKACG P22612 1/20 0.54
PRKACB P22694 1/20 0.54
DRD2 P14416 8/20 0.47
DRD3 P35462 8/20 0.47
ABCC9 O60706 2/20 0.40
ABCC8 Q09428 2/20 0.40
KCNJ11 Q14654 2/20 0.40
KCNJ8 Q15842 2/20 0.40
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL29456493 1.00 PRKACA (0.54) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL31472323 1.00 PRKACA (0.54) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL22456247 0.80 DRD2 (0.60) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL469719 0.80 DRD2 (0.60) DRD2DRD3ABCC9ABCC8KCNJ11
Hydrochloric Acid SCHEMBL455721 0.79 DRD2 (0.59) DRD2DRD3ABCC9ABCC8KCNJ11
Hydrochloric Acid SCHEMBL455722 0.79 DRD2 (0.59) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL21491281 0.78 CYP11B2 (0.39) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL29456404 0.78 CYP11B2 (0.39) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL31472438 0.78 CYP11B2 (0.39) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL29110959 0.77 DRD2 (0.60) DRD2DRD3ABCC9ABCC8KCNJ11

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-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2025-06-12 US disclosed
US-12195453-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2025-01-14 US disclosed
EP-4043460-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2024-06-05 EP disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-11440907-B1 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2022-09-13 US disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
EP-3784666-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2021-03-03 EP disclosed
CN-112236428-A Antiproliferative compounds and uses thereof 默克专利股份有限公司 2021-01-15 CN disclosed
US-10815225-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2020-10-27 US disclosed
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-24 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 (6 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-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI PRKACA 232/4885PRKACG 199/4885PRKACB 322/4885
US-12195453-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI PRKACA 232/4885PRKACG 199/4885PRKACB 322/4885
US-11440907-B1 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI PRKACA 232/4885PRKACG 199/4885PRKACB 322/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI PRKACA 232/4885PRKACG 199/4885PRKACB 322/4885
US-10815225-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI PRKACA 232/4885PRKACG 199/4885PRKACB 322/4885
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI PRKACA 232/4885PRKACG 199/4885PRKACB 322/4885

“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.