SCHEMBL26210462

SCHEMBL26210462

Cc1ccnc(N2CCC(N3C[C@H](C)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 18/20 1.00
CHI3L1 P36222 15/20 1.00
KCNH2 Q12809 9/20 1.00
CHIT1 Q13231 17/20 0.85
CHI3L2 Q15782 4/20 0.76

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
Hydrochloric Acid SCHEMBL25384702 0.99 CHIA (0.98) CHIACHI3L1KCNH2CHIT1CHI3L2
SCHEMBL26210095 0.92 CHIA (1.00) CHIACHI3L1KCNH2CHIT1CHI3L2
SCHEMBL26210512 0.90 CHIA (0.85) CHIACHI3L1KCNH2CHIT1CHI3L2
SCHEMBL26210417 0.90 CHIA (1.00) CHIACHI3L1KCNH2CHIT1CHI3L2
SCHEMBL26210419 0.90 CHIA (0.84) CHIACHI3L1KCNH2CHIT1CHI3L2
SCHEMBL26210450 0.89 CHIA (0.82) CHIACHI3L1KCNH2CHIT1CHI3L2
SCHEMBL26210152 0.88 CHIA (0.81) CHIACHI3L1KCNH2CHIT1CHI3L2
SCHEMBL26210119 0.87 CHIA (0.80) CHIACHI3L1KCNH2CHIT1CHI3L2
SCHEMBL26210120 0.87 CHIA (0.80) CHIACHI3L1KCNH2CHIT1CHI3L2
SCHEMBL26210461 0.86 CHIA (0.82) CHIACHI3L1KCNH2CHIT1CHI3L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CHIA 3/4885CHI3L1 1/4885KCNH2 4824/4885

“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.