SCHEMBL22005069

SCHEMBL22005069

CC(C)N1CCC1c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
KMT2A Q03164 2/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
RIPK1 Q13546 8/20 0.39
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 1/20 0.38
ACLY P53396 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9963125 0.90 ALDH1A1 (0.43) MAOBKMT2AMAOAMEN1CYP3A4
SCHEMBL24775484 0.90 ALDH1A1 (0.43) MAOBKMT2AMAOAMEN1CYP3A4
SCHEMBL25053559 0.85 KDM1A (0.42) MAOBKMT2AMAOAMEN1CYP3A4
SCHEMBL25053374 0.82 KDM1A (0.35) MAOBKMT2AMAOAMEN1CYP3A4
SCHEMBL25053537 0.81 DRD2 (0.39) MAOBKMT2AMAOAGAAKDM4E
SCHEMBL4104823 0.80 KDM1A (0.41) RIPK1KDM1AKDM1B
SCHEMBL25053541 0.79 RIPK1 (0.35) MAOBKMT2AMAOAGAAKDM4E
SCHEMBL9965914 0.75 ALDH1A1 (0.45) MAOBKMT2AMAOAMEN1CYP3A4
SCHEMBL4102035 0.74 CHRNB2 (0.48) ALDH1A1RIPK1KDM1A
SCHEMBL636743 0.74 MAOB (0.41) MAOBKMT2AMAOAMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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 (1 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG MAOB 3225/4885KMT2A 1976/4885MAOA 3294/4885

“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.