SCHEMBL22829975

SCHEMBL22829975

NC(=O)c1cccc2c1CCCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
AURKA O14965 1/20 0.41
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
PARP1 P09874 3/20 0.39
CRBN Q96SW2 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
PDPK1 O15530 1/20 0.37
NUDT1 P36639 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
BCHE P06276 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
SCHEMBL12477513 0.90 CRBN (0.45) HSD17B10ALOX15MAPK1CASP1CASP7
SCHEMBL29857972 0.90 CRBN (0.45) HSD17B10ALOX15MAPK1CASP1CASP7
Hydrochloric Acid SCHEMBL30832841 0.88 CRBN (0.44) HSD17B10ALOX15MAPK1CASP1CASP7
SCHEMBL5227788 0.85 GFER (0.45) HSD17B10ALOX15GRIA1GRIA2GRIA3
SCHEMBL29858178 0.85 GFER (0.45) HSD17B10ALOX15GRIA1GRIA2GRIA3
Hydrochloric Acid SCHEMBL20571437 0.81 P2RX7 (0.39) GRIA1GRIA2GRIA3GRIA4CRBN
SCHEMBL30832879 0.80 ALOX5 (0.43) HSD17B10PARP1KDM4ENUDT1ALDH1A1
SCHEMBL14774736 0.80 ALOX5 (0.43) HSD17B10PARP1KDM4ENUDT1ALDH1A1
Hydrochloric Acid SCHEMBL16195394 0.78 ALOX5 (0.42) HSD17B10PARP1KDM4ENUDT1ALDH1A1
SCHEMBL3500161 0.76 TSHR (0.50) HSD17B10ALOX15MAPK1KDM4EMAPT

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-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP claimed
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists RAQUALIA PHARMA INC. (JP) 2021-08-03 US disclosed
US-20200405706-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2020-12-31 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 (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-20200405706-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 HSD17B10 3802/4885ALOX15 2287/4885MAPK1 1104/4885
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists P2RX7, P2RX3, P2RX1 HSD17B10 3802/4885ALOX15 2287/4885MAPK1 1104/4885

“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.