SCHEMBL23959560

SCHEMBL23959560

C[C@H]1CN(C(=O)c2nn(CC(=O)N3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)c3c2CCC3)CCO1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.43
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.40
CNR1 P21554 2/20 0.39
ADRB2 P07550 1/20 0.39
TRPM2 O94759 1/20 0.37
EPHX2 P34913 1/20 0.36
MDM2 Q00987 3/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL21752564 0.93 KMT2A (0.49) LIPEKMT2AALOX15CNR1ADRB2
SCHEMBL23959556 0.91 KMT2A (0.44) KMT2AALOX15KDM4ELMNAPOLB
SCHEMBL23959626 0.90 KMT2A (0.43) KMT2AALOX15CNR1EPHX2KDM4E
SCHEMBL23959594 0.90 KMT2A (0.43) KMT2AALOX15CNR1KDM4ESMN1; SMN2
SCHEMBL23959602 0.88 KMT2A (0.40) KMT2AALOX15CNR1ADRB2POLB
SCHEMBL23959578 0.86 MLNR (0.43) KMT2AALOX15CNR1
SCHEMBL23959539 0.85 KDM4E (0.41) KMT2AALOX15EPHX2KDM4ELMNA
SCHEMBL21752686 0.84 KMT2A (0.47) LIPEKMT2AALOX15CNR1EPHX2
SCHEMBL23959580 0.84 CNR1 (0.42) KMT2ACNR1EPHX2
SCHEMBL23959703 0.84 ALOX15 (0.42) KMT2AALOX15CNR1

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-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 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 (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-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU LIPE 2487/4885KMT2A 1461/4885ALOX15 525/4885

“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.