SCHEMBL20182779

SCHEMBL20182779

NC1COc2ccccc2C1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
CYP3A4 P08684 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
S1PR1 P21453 2/20 0.39
DPP4 P27487 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36

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
Hydrochloric Acid SCHEMBL21542327 0.98 LTB4R (0.53) LTB4RLTB4R2CYP3A4NISCHMAOA
Hydrochloric Acid SCHEMBL21542274 0.98 LTB4R (0.53) LTB4RLTB4R2CYP3A4NISCHMAOA
Hydrochloric Acid SCHEMBL21542276 0.98 LTB4R (0.53) LTB4RLTB4R2CYP3A4NISCHMAOA
Hydrochloric Acid SCHEMBL20179510 0.98 LTB4R (0.53) LTB4RLTB4R2CYP3A4NISCHMAOA
Hydrochloric Acid SCHEMBL20166029 0.98 LTB4R (0.53) LTB4RLTB4R2CYP3A4NISCHMAOA
SCHEMBL10611891 0.81 LTB4R (0.44) LTB4RLTB4R2CYP3A4NISCHMAOA
SCHEMBL10611876 0.81 LTB4R (0.44) LTB4RLTB4R2CYP3A4NISCHMAOA
SCHEMBL10611653 0.81 LTB4R (0.44) LTB4RLTB4R2CYP3A4NISCHMAOA
SCHEMBL10611632 0.81 LTB4R (0.44) LTB4RLTB4R2CYP3A4NISCHMAOA
SCHEMBL10611643 0.81 LTB4R (0.44) LTB4RLTB4R2CYP3A4NISCHMAOA

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
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 US disclosed
WO-2018092921-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-24 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 (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-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS GRM7, GRM2, GRM1 LTB4R 863/4885LTB4R2 750/4885CYP3A4 4608/4885

“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.