SCHEMBL21995944

SCHEMBL21995944

Cc1c(C(F)F)cccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 4/20 0.48
GPR119 Q8TDV5 3/20 0.46
TP53 P04637 2/20 0.45
NAMPT P43490 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
GAA P10253 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
BACE1 P56817 1/20 0.43
SOS1 Q07889 1/20 0.43

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
SCHEMBL25003007 0.83 MAPT (0.72) ALDH1A1MAPTLMNATP53MEN1
SCHEMBL8701721 0.82 MAPT (0.53) ALDH1A1MAPTLMNAGPR119TP53
SCHEMBL4925088 0.82 GAA (0.57) ALDH1A1MAPTLMNAGPR119TP53
SCHEMBL21995949 0.81 MAPT (0.52) ALDH1A1MAPTLMNAGPR119TP53
SCHEMBL21996003 0.81 LMNA (0.56) ALDH1A1MAPTLMNATP53POLB
SCHEMBL16597110 0.81 MAPT (0.54) ALDH1A1MAPTLMNAGPR119TP53
SCHEMBL18878434 0.79 GPR119 (0.50) ALDH1A1MAPTLMNAGPR119NAMPT
SCHEMBL3528163 0.79 POLB (0.54) ALDH1A1MAPTLMNAGPR119TP53
SCHEMBL21996004 0.79 ALDH1A1 (0.52) ALDH1A1MAPTLMNAGPR119TP53
SCHEMBL6011717 0.79 ALDH1A1 (0.52) ALDH1A1MAPTLMNAGPR119TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP disclosed
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
EP-3886845-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-06 EP disclosed
WO-2020112581-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-04 WO 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 (2 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 ALDH1A1 328/4885MAPT 2271/4885LMNA 4773/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC ALDH1A1 325/4885MAPT 2376/4885LMNA 4655/4885

“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.