SCHEMBL6451392

SCHEMBL6451392

Cc1cccc(C(=O)NCCO)n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.67
GRM5 P41594 2/20 0.58
LMNA P02545 2/20 0.53
CNR1 P21554 1/20 0.51
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
DRD3 P35462 1/20 0.47
CTSA P10619 2/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL10707099 0.88 P2RX7 (0.65) P2RX7GRM5LMNAHTR1AHTR2A
SCHEMBL7654754 0.87 LMNA (0.66) P2RX7LMNACNR1ALDH1A1HPGD
SCHEMBL30695493 0.87 P2RX7 (0.63) P2RX7GRM5LMNAHTR1AHTR2A
Hydrochloric Acid SCHEMBL10709499 0.85 P2RX7 (0.66) P2RX7GRM5LMNAHTR1AHTR2A
Tetrabuthylammonium SCHEMBL6027186 0.85 P2RX7 (0.50) P2RX7GRM5LMNACNR1HTR1A
SCHEMBL12163955 0.84 P2RX7 (0.69) P2RX7GRM5LMNACNR1CTSA
SCHEMBL6027124 0.84 P2RX7 (0.59) P2RX7GRM5LMNAALDH1A1HPGD
SCHEMBL9967794 0.83 HPGD (0.62) P2RX7GRM5LMNACNR1HTR1A
SCHEMBL22811277 0.83 P2RX7 (0.67) P2RX7GRM5LMNAHTR1AHTR2A
SCHEMBL4283563 0.81 GRM5 (0.47) P2RX7GRM5LMNACNR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024227026-A1 HETEROCYCLIC COMPOUNDS AS PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
WO-2023232069-A1 AZAQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 成都苑东生物制药股份有限公司 2023-12-07 WO disclosed
WO-2018069468-A1 BENZOTHIAZOLE DERIVATIVES AS DYRK1 INHIBITORS PHARMASUM THERAPEUTICS AS (NO) 2018-04-19 WO disclosed
US-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AGOURON PHARMACEUTICALS, INC. 2005-07-07 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-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B11, HSD11B2 P2RX7 4589/4885GRM5 1735/4885LMNA 3266/4885

“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.