SCHEMBL24878427

SCHEMBL24878427

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCN(c4cc(F)c(F)cc4Cl)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALOX15 P16050 1/20 0.42
IDO1 P14902 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
CCR1 P32246 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
SMO Q99835 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL30129098 1.00 TSHR (0.45) TSHRALOX15IDO1SMN1; SMN2CCR1
SCHEMBL24878556 0.92 ALOX15 (0.44) TSHRALOX15IDO1SMN1; SMN2ALDH1A1
SCHEMBL30129114 0.92 ALOX15 (0.44) TSHRALOX15IDO1SMN1; SMN2ALDH1A1
SCHEMBL30129203 0.89 ALOX15 (0.43) ALOX15IDO1TP53KDM4EMAPT
SCHEMBL24877857 0.89 ALOX15 (0.43) ALOX15IDO1TP53KDM4EMAPT
SCHEMBL24878451 0.87 ALOX15 (0.50) ALOX15IDO1SMN1; SMN2ALDH1A1MAPT
SCHEMBL30128971 0.87 ALOX15 (0.50) ALOX15IDO1SMN1; SMN2ALDH1A1MAPT
SCHEMBL24878014 0.87 ALOX15 (0.47) ALOX15IDO1SMN1; SMN2CCR1ALDH1A1
SCHEMBL24877871 0.87 ALOX15 (0.47) TSHRALOX15IDO1SMN1; SMN2ALDH1A1
SCHEMBL24878401 0.87 CCR1 (0.44) TSHRALOX15CCR1

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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU TSHR 3557/4885ALOX15 633/4885IDO1 1/4885

“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.