SCHEMBL21615973

SCHEMBL21615973

O=C(CSc1ccc(C(F)(F)F)nc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
GAA P10253 4/20 0.38
PRLHR P49683 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
FKBP1A P62942 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 2/20 0.35
CGAS Q8N884 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
SCHEMBL23352280 0.82 ALDH1A1 (0.40) KMT2ASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL21612764 0.81 L3MBTL1 (0.40) KMT2ALMNAHTTALDH1A1GAA
SCHEMBL31018181 0.81 L3MBTL1 (0.40) KMT2ALMNAHTTALDH1A1GAA
SCHEMBL4012243 0.81 GPBAR1 (0.50) PRLHRGPBAR1
SCHEMBL31018194 0.80 PRLHR (0.38) KMT2ASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL21612758 0.80 PRLHR (0.38) KMT2ASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL13962556 0.79 GPBAR1 (0.45) GPBAR1
SCHEMBL3099388 0.77 TRPV1 (0.39) KMT2ALMNAHTTGAAPRLHR
SCHEMBL31018186 0.77 TRPV1 (0.39) KMT2ALMNAHTTGAAPRLHR
SCHEMBL3099369 0.77 TRPV1 (0.39) KMT2ALMNAHTTGAAPRLHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112437771-B Bronchodilating heteroatom-linked amides 阿凯德制药公司 2024-06-18 CN disclosed
US-11680054-B2 Bronchodilating hetero-linked amides ARCEDE PHARMA AB (SE) 2023-06-20 US disclosed
US-11680054-B2 Bronchodilating hetero-linked amides ARCEDE PHARMA AB (SE) 2023-06-20 US disclosed
US-11680054-B2 Bronchodilating hetero-linked amides ARCEDE PHARMA AB (SE) 2023-06-20 US disclosed
EP-3818055-B1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES RESPIRATORIUS AB PUBL (SE) 2022-02-16 EP disclosed
EP-3818055-B1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES RESPIRATORIUS AB PUBL (SE) 2022-02-16 EP disclosed
US-20210139455-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES ARCEDE PHARMA AB (SE) 2021-05-13 US disclosed
US-20210139455-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES ARCEDE PHARMA AB (SE) 2021-05-13 US disclosed
WO-2020009653-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES RESPIRATORIUS AB (PUBL) (SE) 2020-01-09 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-11680054-B2 Bronchodilating hetero-linked amides PTGIS, PTGIR, ADRB2 KMT2A 3773/4885SMN1; SMN2 4854/4885LMNA 4127/4885
US-20210139455-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES ADRB2, ADRB1, PTGIS KMT2A 3368/4885SMN1; SMN2 4870/4885LMNA 4119/4885

“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.