SCHEMBL5260086

SCHEMBL5260086

c1ccc(C(c2c[nH]c3ccccc23)N2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.47
SRC P12931 1/20 0.47
CYP2D6 P10635 4/20 0.46
KCNH2 Q12809 4/20 0.46
MAPT P10636 3/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
FFAR1 O14842 2/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 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
SCHEMBL5261760 0.98 GPR84 (0.46) GPR84SRCCYP2D6KCNH2MAPT
SCHEMBL28093308 0.88 P4HB (0.44) GPR84MAPTFFAR1GAAMEN1
SCHEMBL28293968 0.85 NR3C1 (0.61) SRCCYP2D6MAPTNR3C1PGR
SCHEMBL28295738 0.81 OPRL1 (0.44) GPR84CYP2D6MAPTFFAR1MEN1
SCHEMBL28295795 0.80 P4HB (0.49) GPR84SRCMAPTNR3C1PGR
SCHEMBL5259231 0.77 TRPM8 (0.50) MAPTSLC6A4GAAMEN1KMT2A
SCHEMBL9456621 0.77 GPR84 (0.54) GPR84SRCCYP2D6MAPTFFAR1
SCHEMBL6985439 0.77 MAPK1 (0.48) GPR84CYP2D6MAPTFFAR1MEN1
SCHEMBL5261272 0.76 TRPM8 (0.49) MAPTSLC6A4GAAMEN1KMT2A
SCHEMBL2054235 0.74 CYP2D6 (0.67) CYP2D6KCNH2MAPTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109645008-A The application of donaxine and its derivative in Antiphytoviral and germ 河北工业大学 2019-04-19 CN claimed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP claimed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US claimed
CN-109645008-A The application of donaxine and its derivative in Antiphytoviral and germ 河北工业大学 2019-04-19 CN disclosed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US disclosed
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 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-20030060497-A1 Subtituted indole mannich bases TPH1, IDO1, TPH2 GPR84 1801/4885SRC 1551/4885CYP2D6 259/4885

“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.