SCHEMBL29456328

SCHEMBL29456328

CC(C)(C)OC(=O)N1CCCOC[C@H]1c1ccc(CBr)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
OPRK1 P41145 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.38
IL1B P01584 1/20 0.36
P2RX7 Q99572 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
NR1H2 P55055 1/20 0.35
KLK7 P49862 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
SCHEMBL31472377 1.00 TSHR (0.42) TSHRALDH1A1LMNAOPRK1MAPT
SCHEMBL25483064 1.00 TSHR (0.42) TSHRALDH1A1LMNAOPRK1MAPT
SCHEMBL21491109 0.91 TSHR (0.43) TSHRALDH1A1LMNAOPRK1MAPT
SCHEMBL31472392 0.91 TSHR (0.43) TSHRALDH1A1LMNAOPRK1MAPT
SCHEMBL29456506 0.91 TSHR (0.43) TSHRALDH1A1LMNAOPRK1MAPT
SCHEMBL31472450 0.89 TSHR (0.42) TSHRALDH1A1LMNAOPRK1MAPT
SCHEMBL21517140 0.89 TSHR (0.42) TSHRALDH1A1LMNAOPRK1MAPT
SCHEMBL29456465 0.89 TSHR (0.42) TSHRALDH1A1LMNAOPRK1MAPT
SCHEMBL21491471 0.88 TSHR (0.42) TSHRALDH1A1LMNAOPRK1MAPT
SCHEMBL29456491 0.88 TSHR (0.42) TSHRALDH1A1LMNAOPRK1MAPT

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 8 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
CN-112236428-B Antiproliferative compounds and uses thereof 默克专利股份有限公司 2025-04-01 CN 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

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-12195453-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI TSHR 3810/4885ALDH1A1 263/4885LMNA 1520/4885
US-11440907-B1 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI TSHR 3810/4885ALDH1A1 263/4885LMNA 1520/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI TSHR 3810/4885ALDH1A1 263/4885LMNA 1520/4885
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI TSHR 3810/4885ALDH1A1 263/4885LMNA 1520/4885

“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.