SCHEMBL23326982

SCHEMBL23326982

O=C(O)N1CCc2ccc(Oc3c(F)cnc4[nH]c(C5(OC6CCCCO6)CC5)cc34)cc2C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.32
▸ HRH3 Q9Y5N1 10/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ CCR2 P41597 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ MOGAT2 Q3SYC2 2/20 0.31
▸ CPT2 P23786 2/20 0.30
▸ CPT1A P50416 2/20 0.30

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
SCHEMBL21470503 0.91 NR1H2 (0.37) HRH3
SCHEMBL23326762 0.78 F10 (0.32) HRH3CHRM4CPT2CPT1A
SCHEMBL23327012 0.73 F10 (0.36) HRH3CHRM4CYP4F2CYP4A11
SCHEMBL23326985 0.72 KIT (0.42) —
SCHEMBL21470499 0.70 NR1H2 (0.41) HRH3CHRM4
SCHEMBL21470821 0.66 NR1H2 (0.44) —
SCHEMBL21470893 0.65 MKNK1 (0.43) —
SCHEMBL21470892 0.65 FGFR4 (0.47) —
SCHEMBL21470706 0.65 NR1H2 (0.42) —
SCHEMBL21470820 0.64 NR1H2 (0.42) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — 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 (1 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 ROCK2 944/4885HRH3 334/4885CHRM4 3354/4885

“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.

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