SCHEMBL29809406

SCHEMBL29809406

CC(=O)c1ccc2c(c1)CCc1ccccc1-2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.72
SRD5A1 P18405 4/20 0.72
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
MAPT P10636 1/20 0.65
MITF O75030 1/20 0.60
HSP90AA1 P07900 1/20 0.60
HSD17B1 P14061 1/20 0.56
S100A4 P26447 1/20 0.54
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
CYP1A2 P05177 1/20 0.47
ADRA2A P08913 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
PDK2 Q15119 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL8941746 1.00 SRD5A2 (0.72) SRD5A2SRD5A1RAB9ANPC1MAPT
SCHEMBL15897526 0.93 SRD5A2 (0.63) SRD5A2SRD5A1RAB9ANPC1MAPT
SCHEMBL15106295 0.91 RAB9A (0.77) SRD5A2SRD5A1RAB9ANPC1MAPT
SCHEMBL407340 0.86 MAPT (0.82) SRD5A2SRD5A1RAB9ANPC1MAPT
SCHEMBL11818520 0.85 SRD5A2 (0.77) SRD5A2SRD5A1RAB9ANPC1MAPT
SCHEMBL10081754 0.84 SRD5A2 (1.00) SRD5A2SRD5A1RAB9ANPC1MITF
SCHEMBL5687425 0.81 SRD5A2 (0.66) SRD5A2SRD5A1RAB9ANPC1MAPT
SCHEMBL8253223 0.80 NPC1 (0.61) SRD5A2SRD5A1RAB9ANPC1MAPT
SCHEMBL30692090 0.79 RAB9A (1.00) SRD5A2RAB9ANPC1MAPTHSD17B1
SCHEMBL3399487 0.79 RAB9A (1.00) SRD5A2RAB9ANPC1MAPTHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 US disclosed
CN-108707140-B Protease C inhibitors 勃林格殷格翰国际有限公司 2022-07-22 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-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ SRD5A2 2195/4885SRD5A1 1927/4885RAB9A 2317/4885

“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.