SCHEMBL21041191

SCHEMBL21041191

O=C(OCc1ccccc1)N1CC(=O)N2CCCC[C@@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TMEM97 Q5BJF2 7/20 0.51
SIGMAR1 Q99720 7/20 0.51
HTR1A P08908 2/20 0.51
HRH2 P25021 2/20 0.51
HRH1 P35367 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
ADRA2C P18825 1/20 0.51
CYP2C19 P33261 1/20 0.50
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48

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
SCHEMBL28435744 0.88 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL12815027 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL3069766 0.86 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL4512387 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL18032527 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21209410 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL21193542 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL21209423 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL31461542 0.83 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL15878020 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1

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 9 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-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-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-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 US 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

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-20190201412-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 SMN1; SMN2 1842/4885NPC1 1199/4885RAB9A 2421/4885
US-10821115-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 SMN1; SMN2 1842/4885NPC1 1199/4885RAB9A 2421/4885
US-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 SMN1; SMN2 1842/4885NPC1 1199/4885RAB9A 2421/4885
US-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 SMN1; SMN2 1842/4885NPC1 1199/4885RAB9A 2421/4885
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 SMN1; SMN2 1842/4885NPC1 1199/4885RAB9A 2421/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 SMN1; SMN2 1683/4885NPC1 1075/4885RAB9A 2378/4885

“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.