SCHEMBL21996049

SCHEMBL21996049

O=C(c1n[nH]c2c1CCC2)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.62
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.56
MAPT P10636 4/20 0.54
GAA P10253 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
NPC1 O15118 6/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GFER P55789 1/20 0.50
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL21752508 0.78 HCAR2 (0.51) HCAR2KMT2ATSHRMAPTGAA
SCHEMBL1663622 0.77 HCAR2 (1.00) HCAR2KMT2ATSHRMAPTGAA
SCHEMBL3132008 0.75 HTR2A (0.66) TSHRPLA2G1BATG4BSMN1; SMN2GFER
SCHEMBL21764920 0.75 HCAR2 (0.70) HCAR2KMT2ATSHRMAPTGAA
SCHEMBL5083071 0.75 HCAR2 (0.70) HCAR2KMT2ATSHRMAPTGAA
SCHEMBL21995880 0.74 KMT2A (0.39) HCAR2KMT2ATSHRMAPTPLA2G1B
SCHEMBL3520598 0.74 HCAR2 (0.50) HCAR2KMT2ATSHRMAPTGAA
SCHEMBL5952125 0.73 HCAR2 (1.00) HCAR2KMT2ATSHRMAPTGAA
SCHEMBL26315017 0.73 RBP4 (0.67) RBP4
SCHEMBL22410825 0.73 ADORA2A (0.54) HCAR2KMT2ATSHRMAPTPLA2G1B

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 6 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
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 HCAR2 247/4885KMT2A 520/4885TSHR 3557/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC HCAR2 351/4885KMT2A 567/4885TSHR 3608/4885

“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.