SCHEMBL20809261

SCHEMBL20809261

CC(C)[C@@]1(c2ccc(C(=O)N3CCC(c4nsc5cc(F)ccc45)CC3)cc2)CNC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
MAPK7 Q13164 2/20 0.39
GRM4 Q14833 5/20 0.39
CYP1A2 P05177 1/20 0.39
HTR2B P41595 1/20 0.37
HSD11B1 P28845 2/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SPR P35270 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
JAK1 P23458 1/20 0.34

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
SCHEMBL20134994 0.85 HTR1D (0.41) HTR1DHTR1BMAPK7GRM4CYP1A2
SCHEMBL20134993 0.85 HTR1D (0.41) HTR1DHTR1BMAPK7GRM4CYP1A2
SCHEMBL20809445 0.85 RBP4 (0.42) MAPK7HTR2BHSD11B1TLR9TLR8
SCHEMBL8125740 0.73 GRM4 (0.55) HTR1DHTR1BGRM4CYP1A2
SCHEMBL20135346 0.70 RBP4 (0.42) MAPK7HTR2BHSD11B1
SCHEMBL20135350 0.70 RBP4 (0.42) MAPK7HTR2BHSD11B1
SCHEMBL29688380 0.70 RBP4 (0.42) MAPK7HTR2BHSD11B1
SCHEMBL20135534 0.69 MAPK7 (0.39) MAPK7HTR2BHSD11B1JAK1
SCHEMBL20135007 0.69 JAK1 (0.48) JAK1
SCHEMBL20135010 0.69 JAK1 (0.48) JAK1

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-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 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 (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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 HTR1D 4084/4885HTR1B 3023/4885MAPK7 390/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 HTR1D 4204/4885HTR1B 3158/4885MAPK7 302/4885

“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.