SCHEMBL26210419

SCHEMBL26210419

C[C@H]1CN(C2CCN(c3cc(Br)ccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 18/20 0.84
CHIT1 Q13231 17/20 0.84
CHI3L1 P36222 15/20 0.84
KCNH2 Q12809 9/20 0.84
CHI3L2 Q15782 4/20 0.75

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
Trifluoroacetic Acid SCHEMBL25386133 0.92 CHIA (0.71) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210095 0.91 CHIA (1.00) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210512 0.90 CHIA (0.85) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210462 0.90 CHIA (1.00) CHIACHIT1CHI3L1KCNH2CHI3L2
Hydrochloric Acid SCHEMBL25384702 0.89 CHIA (0.98) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210417 0.89 CHIA (1.00) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210450 0.88 CHIA (0.82) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210152 0.87 CHIA (0.81) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210120 0.86 CHIA (0.80) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210119 0.86 CHIA (0.80) CHIACHIT1CHI3L1KCNH2CHI3L2

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 3/4885CHIT1 4/4885CHI3L1 1/4885

“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.