SCHEMBL22480554

SCHEMBL22480554

N#Cc1cccc(COc2ccc(Cl)cc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 1.00
SLC6A4 P31645 3/20 0.63
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GRM5 P41594 2/20 0.50
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
MDM2 Q00987 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL18614932 0.86 MRGPRX4 (0.76) MRGPRX4SLC6A4GRM5
SCHEMBL22469778 0.86 MRGPRX4 (0.76) MRGPRX4SLC6A4GRM5
SCHEMBL31568445 0.86 MRGPRX4 (0.76) MRGPRX4SLC6A4GRM5
SCHEMBL14854689 0.86 MRGPRX4 (0.76) MRGPRX4SLC6A4
SCHEMBL5469717 0.85 MRGPRX4 (0.74) MRGPRX4SLC6A4NPC1RAB9ASMN1; SMN2
SCHEMBL22469879 0.83 MRGPRX4 (0.71) MRGPRX4SLC6A4NPC1ALDH1A1RAB9A
SCHEMBL22469722 0.83 MRGPRX4 (1.00) MRGPRX4
SCHEMBL9975339 0.83 MRGPRX4 (0.70) MRGPRX4SLC6A4ALDH1A1MAPT
SCHEMBL31568423 0.83 MRGPRX4 (1.00) MRGPRX4
SCHEMBL4197074 0.82 MRGPRX4 (0.71) MRGPRX4SLC6A4NPC1ALDH1A1RAB9A

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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
US-20230053860-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-02-23 US disclosed
US-20210032213-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2021-02-04 US disclosed
WO-2020198537-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2020-10-01 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 (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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SLC6A4 345/4885NPC1 809/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SLC6A4 345/4885NPC1 809/4885
US-20210032213-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SLC6A4 347/4885NPC1 813/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SLC6A4 345/4885NPC1 809/4885
US-20230053860-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SLC6A4 345/4885NPC1 809/4885

“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.