SCHEMBL6046526

SCHEMBL6046526

CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCc1cc(CN3CCN(C)CC3)ccc1N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 5/20 1.00
PPARG P37231 2/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL6046468 0.94 GPR4 (0.98) GPR4PPARGKCNH2HRH3
SCHEMBL6046517 0.92 GPR4 (0.84) GPR4PPARGKCNH2HRH3
SCHEMBL6046508 0.90 GPR4 (0.82) GPR4PPARGKCNH2HRH3
SCHEMBL6220831 0.89 GPR4 (0.83) GPR4PPARG
SCHEMBL6046450 0.89 GPR4 (0.79) GPR4PPARGKCNH2HRH3
SCHEMBL6046509 0.88 GPR4 (0.82) GPR4PPARG
SCHEMBL4365180 0.88 GPR4 (1.00) GPR4PPARG
SCHEMBL6046475 0.88 GPR4 (0.82) GPR4PPARG
SCHEMBL6220826 0.88 GPR4 (0.82) GPR4PPARG
SCHEMBL6046442 0.88 GPR4 (0.79) GPR4PPARGKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
US-20060239999-A1 Preventive and/or therapeutic drugs for asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-10-26 US disclosed
EP-1547616-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ITCH KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-29 EP disclosed
EP-1537879-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ASTHMA KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-08 EP 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-20060239999-A1 Preventive and/or therapeutic drugs for asthma GPR4, HRH4, GPR3 GPR4 1/4885PPARG 435/4885KCNH2 463/4885
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch GPR4, TRPV1, TRPV4 GPR4 1/4885PPARG 1286/4885KCNH2 957/4885

“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.