SCHEMBL21628642

SCHEMBL21628642

CCOC(=O)c1cnc(Oc2ccc(CC)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
P2RX3 P56373 2/20 0.44
CYP1A2 P05177 2/20 0.43
POLB P06746 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGER4 P35408 1/20 0.41
F10 P00742 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL21628761 0.92 MAOB (0.46) MAOBP2RX3CYP1A2POLBCYP2C9
SCHEMBL21628659 0.91 MAOB (0.52) MAOBP2RX3CYP1A2POLBCYP2C9
SCHEMBL21628715 0.90 MAOB (0.44) MAOBP2RX3CYP1A2POLBCYP2C9
SCHEMBL21628482 0.89 VNN1 (0.44) MAOBP2RX3L3MBTL1LMNAPTGER4
SCHEMBL21628741 0.89 PLA2G4A (0.45) MAOBP2RX3MAPT
SCHEMBL21628399 0.88 PLA2G4A (0.46) MAOBP2RX3
SCHEMBL14656159 0.88 P2RY12 (0.44) MAOBP2RX3CYP1A2POLBCYP2C9
SCHEMBL21628506 0.87 RXRA (0.49) P2RX3L3MBTL1ALDH1A1PTGER4MAPT
SCHEMBL21628788 0.87 S1PR1 (0.48) MAOBP2RX3CYP1A2POLBCYP2C9
SCHEMBL20827025 0.87 MAOB (0.47) MAOBP2RX3CYP1A2POLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (7 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885P2RX3 1886/4885CYP1A2 458/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885P2RX3 1886/4885CYP1A2 458/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK MAOB 2399/4885P2RX3 2206/4885CYP1A2 425/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885P2RX3 1886/4885CYP1A2 458/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR MAOB 1042/4885P2RX3 2895/4885CYP1A2 724/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885P2RX3 1886/4885CYP1A2 458/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885P2RX3 1886/4885CYP1A2 458/4885

“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.