SCHEMBL21565752

SCHEMBL21565752

Clc1ccc(CC2CCN2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
LTA4H P09960 4/20 0.43
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.38

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
SCHEMBL1443794 0.86 POLB (0.61) POLBLTA4H
SCHEMBL18577442 0.86 POLB (0.61) POLBLTA4H
SCHEMBL10132295 0.86 POLB (0.61) POLBLTA4H
SCHEMBL18577477 0.85 POLB (0.69) POLBLTA4H
Hydrochloric Acid SCHEMBL7278039 0.85 POLB (0.59) POLBLTA4H
SCHEMBL18577474 0.85 POLB (0.69) POLBLTA4H
SCHEMBL11474398 0.83 POLB (0.67) POLBLTA4H
Hydrochloric Acid SCHEMBL7248436 0.83 POLB (0.67) POLBLTA4H
Hydrochloric Acid SCHEMBL11472694 0.82 POLB (0.65) POLBLTA4H
SCHEMBL7460081 0.81 LTA4H (0.40) POLBLTA4HALDH1A1

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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2019-11-14 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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC POLB 3468/4885LTA4H 564/4885ALDH1A1 1830/4885

“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.