SCHEMBL21995979

SCHEMBL21995979

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 6/20 0.47
KMT2A Q03164 6/20 0.46
HTT P42858 4/20 0.46
MEN1 O00255 4/20 0.46
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3301622 0.82 MAPT (0.71) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL21855757 0.81 ADAMTS5 (0.58) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL21995969 0.80 MAPT (0.50) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL21995944 0.79 ALDH1A1 (0.51) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL8691022 0.76 AR (0.63) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL9987606 0.72 MAPT (0.67) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL8760271 0.71 HTR1A (0.56) MAPTALDH1A1KDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL21995920 0.71 ADRB1 (0.61) MAPTALDH1A1KDM4ELMNA
SCHEMBL10586177 0.70 TSHR (0.71) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL9565850 0.70 AKR1C3 (0.61) MAPTLMNAKMT2AMEN1TSHR

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 MAPT 2271/4885ALDH1A1 328/4885KDM4E 759/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC MAPT 2376/4885ALDH1A1 325/4885KDM4E 816/4885

“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.