SCHEMBL29902105

SCHEMBL29902105

Nc1ccc([C@H](O)C2CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PDE9A O76083 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
SCHEMBL30318569 0.78 APLNR (0.44)
SCHEMBL29907417 0.78 IDO1 (0.36) ADRA2AADRA2BADRA2C
SCHEMBL25160321 0.78 CCR1 (0.39) ADRA2AADRA2BADRA2C
SCHEMBL4899825 0.78 IDO1 (0.36) ADRA2AADRA2BADRA2C
SCHEMBL31035754 0.77 PDE9A (0.33) PDE9A
SCHEMBL20644139 0.74 ADRA2A (0.41) ADRA2AADRA2BADRA2CCA12CA1
SCHEMBL28402487 0.73 ADRA2A (0.37) ADRA2AADRA2BADRA2CCA12CA1
SCHEMBL22556951 0.72 ADRA2A (0.39) ADRA2AADRA2BADRA2CCA12CA1
SCHEMBL31676307 0.71 APLNR (0.42)
SCHEMBL19126909 0.71 IDO1 (0.43) ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528802-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-20 US disclosed
US-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 US disclosed
US-20220274982-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-01 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-12528802-B2 Heterocyclic compound GBA2, GBA1, GALC ADRA2A 1219/4885ADRA2B 1900/4885ADRA2C 1039/4885
US-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ADRA2A 2928/4885ADRA2B 3841/4885ADRA2C 2960/4885
US-20220274982-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ADRA2A 2928/4885ADRA2B 3841/4885ADRA2C 2960/4885

“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.