SCHEMBL2093807

SCHEMBL2093807

[CH2]OCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2D6 P10635 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
PARP10 Q53GL7 1/20 0.46
ACP3 P15309 1/20 0.46
EPHX1 P07099 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL4850585 0.82 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL31012122 0.82 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL2108040 0.79 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL3779748 0.79 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL8726087 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL20827646 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL28480565 0.78 MEN1 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL8527897 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL1520903 0.78 IDO1 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6KMT2A
SCHEMBL792004 0.78 CYP1A2 (0.53) CYP1A2CYP2C19CYP2C9CYP2D6CNR1

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 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093408-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-09-23 CN disclosed
EP-3412663-B1 NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2022-09-07 EP disclosed
EP-4028130-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION Shionogi & Co., Ltd (JP) 2022-07-20 EP disclosed
CN-114401965-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-04-26 CN disclosed
EP-3205639-B1 AGENT FOR INTRODUCING A PROTECTING GROUP FOR HYDROXY GROUP AND/OR FOR MERCAPTO GROUP UNIV KYUSHU NAT UNIV CORP (JP) 2021-08-11 EP disclosed
CN-107428700-B 9-membered fused ring derivative 盐野义制药株式会社 2021-08-03 CN disclosed
EP-3330256-B1 HETEROCYCLIC DERIVATIVE HAVING TrkA-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2021-06-16 EP disclosed
US-11008320-B2 Nitrogen-containing heterocycle and carbocycle derivatives having TrkA inhibitory activity SHIONOGI & CO., LTD. (JP) 2021-05-18 US disclosed
WO-2021050708-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION SHIONOGI & CO., LTD. (JP) 2021-03-18 WO disclosed
US-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity SHIONOGI & CO., LTD. (JP) 2020-12-22 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
WO-1990005531-A1 METHOD FOR TREATING VASCULAR DISEASES ABBOTT LABORATORIES (US) 1990-05-31 WO disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0320628-A1 Substituted furan compounds which are useful in inhibiting lipoxygenase enzymes, particularly 5-lipoxygenase ABBOTT LABORATORIES (US) 1989-06-21 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP 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-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity NR4A3, CCR3, NCOA3 CYP1A2 1559/4885CYP2C19 1325/4885CYP2C9 1697/4885
US-11008320-B2 Nitrogen-containing heterocycle and carbocycle derivatives having TrkA inhibitory activity NTRK2, NTRK3, NTRK1 CYP1A2 1131/4885CYP2C19 1210/4885CYP2C9 1475/4885

“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.