SCHEMBL3099369

SCHEMBL3099369

O=C(/C=C/c1ccc(C(F)(F)F)nc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PRLHR P49683 1/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.36
GPR183 P32249 2/20 0.36
NAMPT P43490 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31018186 1.00 TRPV1 (0.39) TRPV1PTGDR2NPC1RAB9APRLHR
SCHEMBL3099388 1.00 TRPV1 (0.39) TRPV1PTGDR2NPC1RAB9APRLHR
SCHEMBL11997790 0.93 PTGDR2 (0.37) TRPV1PTGDR2NPC1RAB9APRLHR
SCHEMBL13096371 0.92 MAPT (0.40) PTGDR2NPC1RAB9APRLHRMAPT
SCHEMBL11997379 0.86 HPGD (0.41) TRPV1PTGDR2NPC1RAB9APRLHR
SCHEMBL3102935 0.81 TRPV1 (0.40) TRPV1PTGDR2RAB9APRLHRMAPT
SCHEMBL11997380 0.81 KCNH2 (0.36) MAPTHPGDGAAGPR183
SCHEMBL3102946 0.81 TRPV1 (0.40) TRPV1PTGDR2RAB9APRLHRMAPT
SCHEMBL3101555 0.80 MAPT (0.46) NPC1RAB9AMAPTHPGDHTT
SCHEMBL3101567 0.80 MAPT (0.46) NPC1RAB9AMAPTHPGDHTT

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 16 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
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
EP-3818055-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES Respiratorius AB (Publ) (SE) 2021-05-12 EP disclosed
CN-112437771-A Novel bronchodilator heteroatom-linked amides 瑞思拜尔锐特略斯股份公司 2021-03-02 CN disclosed
WO-2020009653-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES RESPIRATORIUS AB (PUBL) (SE) 2020-01-09 WO disclosed
US-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
US-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
US-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
EP-2181095-B1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2012-08-22 EP disclosed
EP-2181095-B1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2012-08-22 EP disclosed
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 US disclosed
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 US disclosed
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 US disclosed
WO-2009007420-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 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-11680054-B2 Bronchodilating hetero-linked amides PTGIS, PTGIR, ADRB2 TRPV1 249/4885PTGDR2 67/4885NPC1 3717/4885
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES PTGIS, ADRB2, ADRB1 TRPV1 537/4885PTGDR2 30/4885NPC1 1040/4885
US-20210139455-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES ADRB2, ADRB1, PTGIS TRPV1 234/4885PTGDR2 80/4885NPC1 3518/4885

“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.