SCHEMBL20522892

SCHEMBL20522892

C[C@@H]1OC[C@@H]2CN(Cc3ccccc3)CCN2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.43
CHRM3 P20309 3/20 0.43
CHRM2 P08172 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
ACHE P22303 2/20 0.42
DRD4 P21917 1/20 0.41
MC4R P32245 1/20 0.41
DRD2 P14416 1/20 0.41
BCHE P06276 1/20 0.40
BACE1 P56817 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
FPR2 P25090 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL20522837 1.00 TACR1 (0.43) TACR1CHRM3CHRM2SIGMAR1ACHE
SCHEMBL24912591 1.00 TACR1 (0.43) TACR1CHRM3CHRM2SIGMAR1ACHE
SCHEMBL21909641 0.89 ALDH1A1 (0.42) ACHEBCHEBACE1OPRM1LMNA
SCHEMBL7838918 0.80 SIGMAR1 (0.46) TACR1CHRM3CHRM2SIGMAR1ACHE
SCHEMBL2668698 0.79 LTA4H (0.57) TACR1CHRM3CHRM2SIGMAR1ACHE
SCHEMBL24649078 0.79 LTA4H (0.57) TACR1CHRM3CHRM2SIGMAR1ACHE
SCHEMBL21124809 0.78 FUCA1 (0.47) SIGMAR1ACHEDRD4MC4RDRD2
SCHEMBL2659902 0.76 TACR1 (0.48) TACR1CHRM3CHRM2SIGMAR1ACHE
SCHEMBL20522860 0.76 TACR1 (0.48) TACR1CHRM3CHRM2SIGMAR1ACHE
SCHEMBL13898835 0.74 CHRM3 (0.56) CHRM3CHRM2ACHEDRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
EP-3601297-B1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2022-10-19 EP disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2020-06-04 US disclosed
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2020-06-04 US disclosed
US-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 US disclosed
EP-3601297-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN Amgen Inc. (US) 2020-02-05 EP disclosed
US-20190201412-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2019-07-04 US disclosed
US-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 US disclosed
US-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 US disclosed
US-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2018-10-11 US disclosed
WO-2018183418-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2018-10-04 WO 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 (7 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-20190201412-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 TACR1 4845/4885CHRM3 4882/4885CHRM2 4881/4885
US-10821115-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 TACR1 4845/4885CHRM3 4882/4885CHRM2 4881/4885
US-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 TACR1 4845/4885CHRM3 4882/4885CHRM2 4881/4885
US-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 TACR1 4845/4885CHRM3 4882/4885CHRM2 4881/4885
US-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 TACR1 4845/4885CHRM3 4882/4885CHRM2 4881/4885
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 TACR1 4845/4885CHRM3 4882/4885CHRM2 4881/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 TACR1 4842/4885CHRM3 4882/4885CHRM2 4881/4885

“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.