SCHEMBL23326727

SCHEMBL23326727

Cn1cc(C#Cc2c(N)ncc(F)c2Oc2ccc3c(c2)CN(C(=O)O)CC3)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 2/20 0.38
▸ F10 P00742 9/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ MERTK Q12866 3/20 0.33
▸ PLG P00747 2/20 0.33
▸ TYRO3 Q06418 2/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ AXL P30530 2/20 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
SCHEMBL21470496 0.90 NR1H2 (0.47) HAO1
SCHEMBL21470491 0.89 DRD1 (0.34) HAO1HRH3OPRK1MERTKCSF1R
SCHEMBL23327006 0.82 F10 (0.39) F10PLGPRSS1PRSS2PRSS3
SCHEMBL23326985 0.75 KIT (0.42) MERTKTYRO3AXL
SCHEMBL23326762 0.74 F10 (0.32) F10HRH3CHRM4PLGPRSS1
SCHEMBL21470507 0.72 NR1H2 (0.47) F10PLGPRSS1PRSS2PRSS3
SCHEMBL21470817 0.69 NR1H2 (0.56) CHRM4
SCHEMBL23327012 0.68 F10 (0.36) F10HRH3CHRM4PLGPRSS1
SCHEMBL21470816 0.68 DRD1 (0.41) HRH3OPRK1OPRM1OPRD1
SCHEMBL21470499 0.67 NR1H2 (0.41) F10HRH3CHRM4

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 HAO1 2879/4885F10 4793/4885HRH3 334/4885

“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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