SCHEMBL21996002

SCHEMBL21996002

Cc1c(Br)ccc(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.33
RIPK1 Q13546 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL31567045 1.00 TNF (0.33) TNFRIPK1HTR2AHTR2CHTR2B
SCHEMBL221046 0.81 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL112218 0.80 HDAC4 (0.36)
SCHEMBL29918982 0.80 HDAC4 (0.36)
SCHEMBL4812657 0.79 HTR2A (0.39) TNFRIPK1HTR2AHTR2CHTR2B
SCHEMBL2329832 0.77 ALDH1A1 (0.32)
SCHEMBL29449513 0.77 ALDH1A1 (0.32)
SCHEMBL29616362 0.77 TNF (0.37) TNFRIPK1HTR2AHTR2CHTR2B
SCHEMBL3087235 0.77 TNF (0.37) TNFRIPK1HTR2AHTR2CHTR2B
SCHEMBL13905953 0.77 ACHE (0.38) TNFRIPK1HTR2AHTR2CHTR2B

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 TNF 1300/4885RIPK1 1267/4885HTR2A 150/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC TNF 1428/4885RIPK1 1468/4885HTR2A 199/4885

“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.