SCHEMBL4594261

SCHEMBL4594261

CCN1C(=O)Nc2ccc(Cl)cc2C1(CC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.43
PGR P06401 3/20 0.40
IDO1 P14902 2/20 0.39
MAPT P10636 1/20 0.39
HTR7 P34969 4/20 0.38
MGAM O43451 1/20 0.36
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CBX7 O95931 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD4 P21917 1/20 0.36
AKR1C3 P42330 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
SCHEMBL2471501 0.87 CYP46A1 (0.38) AKR1B1PGRIDO1MAPTHTR7
SCHEMBL9542468 0.86 PGR (0.40) PGRIDO1MAPTHTR7MEN1
SCHEMBL9539722 0.85 AKR1B1 (0.50) AKR1B1PGRIDO1MAPTHTR7
SCHEMBL21939397 0.84 AKR1B1 (0.41) AKR1B1PGRIDO1MAPTHTR7
SCHEMBL9539014 0.83 AKR1B1 (0.40) AKR1B1PGRIDO1MAPTHTR7
SCHEMBL11388713 0.83 MDM2 (0.46) AKR1B1IDO1CBX7CDYL2CDYL
SCHEMBL9539751 0.80 AKR1B1 (0.38) AKR1B1PGRIDO1MAPTHTR7
SCHEMBL2467289 0.80 PGR (0.40) AKR1B1PGRIDO1HTR7
SCHEMBL2469599 0.79 CYP46A1 (0.39) AKR1B1PGRIDO1MAPTHTR7
SCHEMBL9539047 0.78 AKR1B1 (0.48) AKR1B1PGRIDO1MAPTHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PREC MEDICINES INC (US) 2021-05-06 US disclosed
US-20210038589-A1 USES, COMPOSITIONS AND METHODS FISAHN ANDRE (SE) 2021-02-11 US disclosed
WO-2018118101-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2018-06-28 WO disclosed
EP-1553946-A4 ENHANCEMENT OF SLEEP WITH T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO INC (US) 2008-07-16 EP disclosed
US-20060003985-A1 Enhancement of sleep with t-type calcium channel antagonists RENGER JOHN J 2006-01-05 US disclosed
EP-1553946-A2 ENHANCEMENT OF SLEEP WITH T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2005-07-20 EP disclosed
WO-2004035000-A2 ENHANCEMENT OF SLEEP WITH T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2004-04-29 WO 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-20210038589-A1 USES, COMPOSITIONS AND METHODS APP, CACNA1G, CACNA1B AKR1B1 2384/4885PGR 4148/4885IDO1 3399/4885
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF CACNA1G, CACNA1H, CACNA1I AKR1B1 3949/4885PGR 4675/4885IDO1 3508/4885

“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.