SCHEMBL19738735

SCHEMBL19738735

NCc1ccc(N2CC3CC(F)(F)CC3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.35
HRH3 Q9Y5N1 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
BPTF Q12830 1/20 0.33
TPSAB1 Q15661 2/20 0.32
ABAT P80404 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
RORC P51449 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
SCHEMBL19738806 0.78 LOXL2 (0.36) LOXL2HRH3BPTFTPSAB1ABAT
SCHEMBL20346738 0.74 LOXL2 (0.39) LOXL2HRH3L3MBTL3ABAT
SCHEMBL20979942 0.73 HRH3 (0.52) HRH3
SCHEMBL7368542 0.73 ABAT (0.41) LOXL2HRH3TPSAB1ABATRORC
SCHEMBL22918664 0.72 KLKB1 (0.41) LOXL2HRH3TPSAB1ABAT
SCHEMBL20345578 0.71 LOXL2 (0.36) LOXL2HRH3L3MBTL3ABATRORC
SCHEMBL20979915 0.70 LOXL2 (0.35) LOXL2HRH3ABAT
SCHEMBL18357596 0.70 LOXL2 (0.35) LOXL2HRH3L3MBTL3ABAT
SCHEMBL22914811 0.70 GFER (0.43) LOXL2RORC
SCHEMBL12294725 0.69 HRH3 (0.48) LOXL2HRH3ABAT

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-11179396-B2 Heterocyclic compounds as antibacterials JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 US disclosed
US-20190134046-A1 HETEROCYCLIC COMPOUNDS AS ANTIBACTERIALS Janssen Sciences Ireland Unlimited Company (IE) 2019-05-09 US disclosed
WO-2017216281-A1 HETEROCYCLIC COMPOUNDS AS ANTIBACTERIALS JANSSEN SCIENCES IRELAND UC (IE) 2017-12-21 WO 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 (2 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-11179396-B2 Heterocyclic compounds as antibacterials SQOR, NQO1, NDUFS3 LOXL2 3752/4885HRH3 1196/4885L3MBTL3 1755/4885
US-20190134046-A1 HETEROCYCLIC COMPOUNDS AS ANTIBACTERIALS SQOR, NQO1, NDUFS3 LOXL2 3752/4885HRH3 1196/4885L3MBTL3 1755/4885

“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.