SCHEMBL22868014

SCHEMBL22868014

N#CCC(CC#N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
EPHX1 P07099 1/20 0.44
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
SLC18A2 Q05940 1/20 0.39

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
SCHEMBL4849811 0.88 MAOB (0.42) MAOBEPHX1TAAR1SLC6A2SIGMAR1
SCHEMBL8849258 0.88 TRPA1 (0.46) MAOBEPHX1CYP1A2ESR1ESR2
SCHEMBL8849249 0.88 TRPA1 (0.46) MAOBEPHX1CYP1A2ESR1ESR2
SCHEMBL27511910 0.80 CTSS (0.41) MAOBTAAR1SLC6A2SIGMAR1MAOA
SCHEMBL6746625 0.78 TRPA1 (0.44) MAOBEPHX1CYP1A2ESR1ESR2
SCHEMBL22753592 0.78 EPHX1 (0.64) MAOBEPHX1TAAR1SLC6A2SIGMAR1
SCHEMBL13685186 0.78 MAOB (0.53) MAOBEPHX1TAAR1SLC6A2SIGMAR1
SCHEMBL5005731 0.78 EPHX1 (0.64) MAOBEPHX1TAAR1SLC6A2SIGMAR1
SCHEMBL7515035 0.78 MAOB (0.42) MAOBTAAR1SLC6A2SIGMAR1MAOA
SCHEMBL4981467 0.77 EPHX1 (0.60) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3994125-B1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMA (US) 2025-12-24 EP disclosed
US-20240299402-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-09-12 US disclosed
US-11957687-B2 Modulators of HSD17B13 and methods of use thereof REGENERON PHARMACEUTICALS, INC. (US) 2024-04-16 US disclosed
US-20230094341-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-03-30 US disclosed
EP-3994125-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF Regeneron Pharmaceuticals, Inc. (US) 2022-05-11 EP disclosed
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 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 (3 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-20240299402-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF HSD17B3, HSD17B11, HSD17B1 MAOB 870/4885EPHX1 2148/4885TAAR1 4656/4885
US-20230094341-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF HSD17B3, HSD17B11, HSD17B1 MAOB 870/4885EPHX1 2148/4885TAAR1 4656/4885
US-11957687-B2 Modulators of HSD17B13 and methods of use thereof HSD17B3, HSD17B11, HSD17B1 MAOB 870/4885EPHX1 2148/4885TAAR1 4656/4885

“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.