SCHEMBL20329348

SCHEMBL20329348

N#Cc1ccc([C@@]2(C3CC3)c3cc(Cl)ccc3NC(=O)N2CC(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.36
CYP46A1 Q9Y6A2 2/20 0.35
MDM2 Q00987 6/20 0.35
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
MAPK1 P28482 2/20 0.33
HTR2C P28335 2/20 0.33
PGR P06401 2/20 0.33
TP53 P04637 1/20 0.33
NR1I2 O75469 1/20 0.33
NR3C1 P04150 1/20 0.33
ADRB1 P08588 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
AGTR1 P30556 1/20 0.33
CCKBR P32239 1/20 0.33

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
SCHEMBL29410287 0.86 CYP46A1 (0.37) F11CYP46A1MDM2MMP13ADAM17
SCHEMBL2470993 0.86 CYP46A1 (0.37) F11CYP46A1MDM2MMP13ADAM17
SCHEMBL20328333 0.79 KMT2A (0.35) F11CYP46A1MDM2MMP13ADAM17
SCHEMBL2473019 0.76 KMT2A (0.35) HTR2CMAPTHTR2AKMT2AMEN1
SCHEMBL22968848 0.75 ELOVL6 (0.39) CYP46A1ADAM17MAPK1HTR2CPGR
SCHEMBL2471837 0.75 ELOVL6 (0.39) CYP46A1ADAM17MAPK1HTR2CPGR
SCHEMBL2467309 0.72 CYP46A1 (0.37) CYP46A1MAPK1HTR2CPGRNR1I2
SCHEMBL2473389 0.72 CYP46A1 (0.37) CYP46A1MDM2MAPK1HTR2CPGR
SCHEMBL2467594 0.72 CYP46A1 (0.38) CYP46A1MAPK1HTR2CPGRNR1I2
SCHEMBL2471338 0.70 CYP46A1 (0.37) CYP46A1MDM2MAPK1HTR2CTP53

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
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

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 F11 2289/4885CYP46A1 1275/4885MDM2 3584/4885
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF CACNA1G, CACNA1H, CACNA1I F11 3617/4885CYP46A1 3984/4885MDM2 3944/4885

“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.