SCHEMBL23326979

SCHEMBL23326979

C[C@@H]1Cc2ncc(O)cc2CN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.33
MB P02144 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
QRFPR Q96P65 1/20 0.32
GRM5 P41594 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 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
SCHEMBL25431503 0.84 ABHD6 (0.41) OPRK1
SCHEMBL25428241 0.84 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL25428247 0.84 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL25429344 0.84 ABHD6 (0.41) OPRK1
SCHEMBL21470476 0.83 ESR2 (0.41)
SCHEMBL21470695 0.83 ESR2 (0.41)
SCHEMBL25428538 0.81 BRD4 (0.36) P2RX7GRM5
SCHEMBL25428534 0.81 BRD4 (0.36) P2RX7GRM5
SCHEMBL25427523 0.80 ROCK1 (0.35) OPRK1CYP2C9CYP2C19
SCHEMBL25427529 0.80 ROCK1 (0.35) OPRK1CYP2C9CYP2C19

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 P2RX7 775/4885MB 4245/4885OPRM1 1516/4885

“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.