SCHEMBL21995896

SCHEMBL21995896

Cc1c(Cl)ccnc1N1CCN(Cc2ccccc2)C2(CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.44
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR1A P08908 2/20 0.38
HTR2C P28335 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
HTR6 P50406 3/20 0.37
HSD11B1 P28845 1/20 0.36
SMO Q99835 1/20 0.36
CNR2 P34972 2/20 0.35
EPHX2 P34913 1/20 0.33
CHRM2 P08172 1/20 0.33
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.32
RBP4 P02753 1/20 0.32

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
SCHEMBL21996098 0.73 ALDH1A1 (0.52) MAPT
SCHEMBL10325150 0.71 JAK3 (0.50) JAK3MAPT
SCHEMBL1048640 0.70 JAK3 (0.83) JAK3
SCHEMBL30594794 0.68 SIGMAR1 (0.57)
SCHEMBL21996000 0.68 CHRNB2 (0.42) JAK3
Hydrochloric Acid SCHEMBL30594865 0.67 SIGMAR1 (0.55)
SCHEMBL30365285 0.65 EPHX2 (0.52) HSD11B1EPHX2CHRM2
SCHEMBL12500416 0.65 JAK3 (0.51) JAK3HTR2CEPHX2
SCHEMBL15099391 0.64 MC4R (0.47) JAK3EPHX2
SCHEMBL318828 0.64 JAK3 (0.86) JAK3

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 JAK3 1429/4885HTR3E 682/4885HTR3B 649/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC JAK3 1499/4885HTR3E 788/4885HTR3B 796/4885

“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.