SCHEMBL24702011

SCHEMBL24702011

Oc1ccccc1CCNP

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 10/20 0.62
TAAR1 Q96RJ0 1/20 0.54
SLC6A4 P31645 2/20 0.53
CA12 O43570 6/20 0.52
CA2 P00918 6/20 0.52
TSHR P16473 2/20 0.50
HSPA5 P11021 1/20 0.50
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
CA9 Q16790 5/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL10526958 0.82 MPO (0.80) MPOTAAR1SLC6A4CA12CA2
SCHEMBL2904716 0.78 MPO (0.62) MPOTAAR1SLC6A4CA12CA2
SCHEMBL1222973 0.78 TAAR1 (0.71) MPOTAAR1SLC6A4CA12CA2
SCHEMBL29706272 0.78 TAAR1 (0.71) MPOTAAR1SLC6A4CA12CA2
SCHEMBL5072950 0.78 MPO (0.61) MPOTAAR1SLC6A4CA12CA2
SCHEMBL23829545 0.77 TSHR (0.67) MPOSLC6A4CA12CA2TSHR
Bromide SCHEMBL15398510 0.77 MPO (0.60) MPOTAAR1SLC6A4CA12CA2
SCHEMBL29706378 0.76 TAAR1 (0.68) MPOTAAR1SLC6A4CA12CA2
SCHEMBL25454282 0.75 MPO (0.69) MPOTAAR1SLC6A4CA12CA2
SCHEMBL4135922 0.75 MPO (0.69) MPOTAAR1SLC6A4CA12CA2

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-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 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-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F2, F13B, SERPINE1 MPO 650/4885TAAR1 3945/4885SLC6A4 4721/4885

“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.