SCHEMBL4019181

SCHEMBL4019181

NC1CCCc2c(Br)cccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.42
KDM1A O60341 1/20 0.39
IL1RN P18510 2/20 0.39
ERAP2 Q6P179 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ACHE P22303 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ANPEP P15144 2/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL4206687 1.00 GID4 (0.42) GID4KDM1AIL1RNERAP2ERAP1
SCHEMBL29983834 1.00 GID4 (0.42) GID4KDM1AIL1RNERAP2ERAP1
SCHEMBL17193124 1.00 GID4 (0.42) GID4KDM1AIL1RNERAP2ERAP1
Hydrochloric Acid SCHEMBL30302232 0.98 KDM1A (0.42) GID4KDM1AIL1RNERAP2ERAP1
Hydrochloric Acid SCHEMBL29145483 0.98 KDM1A (0.42) GID4KDM1AIL1RNERAP2ERAP1
SCHEMBL29325347 0.95 GID4 (0.41) GID4KDM1AIL1RNERAP2ERAP1
SCHEMBL29325210 0.95 GID4 (0.41) GID4KDM1AIL1RNERAP2ERAP1
SCHEMBL12402720 0.89 IL1RN (0.49) GID4KDM1AIL1RNERAP2ERAP1
SCHEMBL1879560 0.89 IL1RN (0.49) GID4KDM1AIL1RNERAP2ERAP1
SCHEMBL1150600 0.89 IL1RN (0.49) GID4KDM1AIL1RNERAP2ERAP1

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 11 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-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 US disclosed
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 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
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US 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 (5 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 GID4 564/4885KDM1A 3414/4885IL1RN 3463/4885
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF CYP11B2, ALDH7A1, CYP11B1 GID4 4032/4885KDM1A 2239/4885IL1RN 4811/4885
US-20230094341-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF HSD17B3, HSD17B11, HSD17B1 GID4 564/4885KDM1A 3414/4885IL1RN 3463/4885
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C GID4 2031/4885KDM1A 1956/4885IL1RN 3974/4885
US-11957687-B2 Modulators of HSD17B13 and methods of use thereof HSD17B3, HSD17B11, HSD17B1 GID4 564/4885KDM1A 3414/4885IL1RN 3463/4885

“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.