SCHEMBL20135136

SCHEMBL20135136

CC(C)[C@]1(c2ccc(C(=O)N3CCC(c4ccc5ccccc5c4)CC3)cc2)NC(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ADAMTS5 Q9UNA0 9/20 0.44
HRH3 Q9Y5N1 1/20 0.42
ADAM17 P78536 2/20 0.42
CCR1 P32246 1/20 0.42
HSD11B1 P28845 1/20 0.40
CRBN Q96SW2 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL29688421 1.00 NPC1 (0.45) NPC1RAB9AADAMTS5HRH3ADAM17
SCHEMBL20135137 1.00 NPC1 (0.45) NPC1RAB9AADAMTS5HRH3ADAM17
SCHEMBL20135203 0.84 AKR1C3 (0.41) NPC1RAB9AADAMTS5HSD11B1CRBN
SCHEMBL20135206 0.84 AKR1C3 (0.41) NPC1RAB9AADAMTS5HSD11B1CRBN
SCHEMBL29689022 0.84 AKR1C3 (0.41) NPC1RAB9AADAMTS5HSD11B1CRBN
SCHEMBL20134998 0.83 ADAMTS5 (0.55) RAB9AADAMTS5ADAM17CRBNHPGD
SCHEMBL20134996 0.83 ADAMTS5 (0.55) RAB9AADAMTS5ADAM17CRBNHPGD
SCHEMBL29688606 0.83 ADAMTS5 (0.55) RAB9AADAMTS5ADAM17CRBNHPGD
SCHEMBL20135454 0.79 LMNA (0.62) TSHRHTR2B
SCHEMBL20135442 0.79 UBE2M (0.63) TSHR

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
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
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
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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 NPC1 4881/4885RAB9A 270/4885ADAMTS5 23/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 NPC1 4882/4885RAB9A 345/4885ADAMTS5 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.