SCHEMBL30278485

SCHEMBL30278485

CC1(C)CCC(c2nccs2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.36
ALOX15 P16050 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AOC3 Q16853 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KIF11 P52732 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL498175 0.82
SCHEMBL28239720 0.81 DRD4 (0.33) DRD4NOS3NOS2ALDH1A1TSHR
SCHEMBL22969955 0.78 ALOX15 (0.34) DRD4ALOX15CYP2D6CYP1A2CYP3A4
SCHEMBL577126 0.78
SCHEMBL497630 0.78 TSHR (0.38) DRD4NOS3NOS2ALDH1A1TSHR
SCHEMBL628684 0.77 SCN5A (0.35) DRD4ALOX15NOS3NOS2ALDH1A1
SCHEMBL9830249 0.77 DRD4 (0.37) DRD4NOS3NOS2ALDH1A1TSHR
SCHEMBL1606341 0.76 TSHR (0.40) DRD4NOS3NOS2ALDH1A1TSHR
SCHEMBL28596584 0.75 DRD4 (0.35) DRD4NOS3NOS2ALDH1A1TSHR
SCHEMBL31091562 0.75 DRD4 (0.38) DRD4NOS3NOS2ALDH1A1TSHR

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-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof ENANTA PHARM INC (US) 2025-12-11 US disclosed
US-12384753-B2 17-beta-hydroxysteroid dehydrogenase type 13 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2025-08-12 US disclosed
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
CN-118103038-A 17 Beta-hydroxysteroid dehydrogenase 13 inhibitors and methods of use thereof 英安塔制药有限公司 2024-05-28 CN disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 DRD4 4532/4885ALOX15 339/4885NOS3 1254/4885
US-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof HSD17B1, HSD17B13, HSD17B3 DRD4 4532/4885ALOX15 339/4885NOS3 1254/4885
US-12384753-B2 17-beta-hydroxysteroid dehydrogenase type 13 inhibitors and methods of use thereof HSD17B1, HSD17B13, HSD17B3 DRD4 4532/4885ALOX15 339/4885NOS3 1254/4885

“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.