SCHEMBL23959564

SCHEMBL23959564

C[C@@H]1CN(C(O)c2nn(CC(=O)N3CCC(Oc4cccc(C(F)(F)F)c4Cl)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
SCD O00767 7/20 0.36
TP53 P04637 2/20 0.34
CCR1 P32246 2/20 0.33
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL21752548 0.86 ALOX15 (0.43) ALOX15SCDTP53CCR1
SCHEMBL23959711 0.83 ALOX15 (0.36) ALOX15TP53MAPT
SCHEMBL21752463 0.79 ALOX15 (0.47) ALOX15SCD
SCHEMBL21752640 0.79 ALOX15 (0.43) ALOX15SCD
SCHEMBL21752582 0.74 CNR1 (0.41) ALOX15SCDTP53
SCHEMBL32685321 0.74 CNR1 (0.41) ALOX15SCDTP53
SCHEMBL21752662 0.74 KMT2A (0.41) ALOX15SCDTP53
SCHEMBL30352849 0.74 KMT2A (0.41) ALOX15SCDTP53
SCHEMBL23959577 0.73 IDO1 (0.40) ALOX15SCDGAATSHRHSD17B10
SCHEMBL21752551 0.73 SCD (0.44) ALOX15SCD

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 ALOX15 525/4885SCD 1524/4885TP53 2681/4885

“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.