SCHEMBL29649348

SCHEMBL29649348

N#Cc1ccc2c(c1)CCCC2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.64
MAOA P21397 7/20 0.62
MAOB P27338 7/20 0.62
PRKCI P41743 1/20 0.56
PGR P06401 2/20 0.56
HSD17B1 P14061 1/20 0.50
CYP2A6 P11509 1/20 0.48
CYP11B2 P19099 2/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
BAZ2B Q9UIF8 1/20 0.46
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42

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
SCHEMBL1091324 1.00 GRM5 (0.64) GRM5MAOAMAOBPRKCIPGR
SCHEMBL1031985 0.89 GRM5 (0.62) GRM5MAOAMAOBPRKCIPGR
SCHEMBL29741348 0.89 GRM5 (0.62) GRM5MAOAMAOBPRKCIPGR
SCHEMBL29649358 0.86 MAOB (0.62) GRM5MAOAMAOBPRKCIPGR
SCHEMBL4219924 0.86 MAOB (0.62) GRM5MAOAMAOBPRKCIPGR
SCHEMBL389575 0.83 MAOA (0.70) GRM5MAOAMAOBPRKCIPGR
SCHEMBL19548369 0.81 MAOB (0.46) GRM5MAOAMAOBPRKCIPGR
SCHEMBL12063336 0.79 MIF (0.52) GRM5MAOAMAOBPGRCYP11B2
SCHEMBL4324503 0.79 CYP11B2 (0.47) GRM5MAOAMAOBPGRCYP11B2
SCHEMBL27913249 0.78 DRD2 (0.52) GRM5MAOAMAOBCYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510758-A RXFP1 agonists 百时美施贵宝公司 2024-08-16 CN disclosed
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed
CN-114149457-B Benzo [ c ] [1,2] oxaborole-1 (3H) -alcohol compound and application thereof 湖北民族大学 2024-04-12 CN disclosed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 US disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN 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-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 GRM5 2413/4885MAOA 26/4885MAOB 25/4885

“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.