SCHEMBL19862558

SCHEMBL19862558

CC(C)NCc1ccc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
DAO P14920 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.34
HTR2A P28223 4/20 0.34
BACE1 P56817 1/20 0.34
APLNR P35414 1/20 0.34
MAP4K4 O95819 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL19862555 0.79 CCR1 (0.40) ADORA2A
SCHEMBL21909721 0.79 PIK3CD (0.40) KCNH2DAOADORA2AHTR2AMBOAT4
SCHEMBL30438707 0.79 PIK3CD (0.40) KCNH2DAOADORA2AHTR2AMBOAT4
SCHEMBL15240118 0.78 GBA1 (0.42)
SCHEMBL19862557 0.78 L3MBTL1 (0.38) KCNH2TRPV3MBOAT4
SCHEMBL13167406 0.77 KDM1A (0.47) TRPV3DAO
SCHEMBL19862565 0.76 HRH3 (0.47)
SCHEMBL25588018 0.76 DAO (0.39) KCNH2DAOADORA2AADORA2BHTR2A
SCHEMBL27151385 0.76 IL6 (0.33) KCNH2
SCHEMBL19865686 0.76 MCHR1 (0.39) DAOADORA2AADORA2BHTR2ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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 (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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM KCNH2 1244/4885TRPV3 3981/4885DAO 1212/4885
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A KCNH2 2435/4885TRPV3 2935/4885DAO 312/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM KCNH2 1244/4885TRPV3 3981/4885DAO 1212/4885

“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.