SCHEMBL4532090

SCHEMBL4532090

CCOc1c(OC)ccc2cc(C(=O)Nc3ccc(C(C)(C)N)cc3)c(=O)oc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.59
TP53 P04637 2/20 0.52
MAPT P10636 1/20 0.52
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
AHR P35869 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
S1PR1 P21453 2/20 0.47

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
SCHEMBL3885786 0.93 CNR2 (0.59) CNR2TP53MAPTMAOAMAOB
SCHEMBL3882211 0.92 CNR2 (0.52) CNR2TP53MAPTMAOAMAOB
SCHEMBL3883904 0.91 CNR2 (0.58) CNR2TP53MAPTMAOAMAOB
SCHEMBL4523179 0.91 CNR2 (0.55) CNR2TP53MAPTMAOAMAOB
SCHEMBL4530045 0.90 CNR2 (0.54) CNR2TP53MAPTMAOAMAOB
SCHEMBL3880173 0.89 CNR2 (0.57) CNR2TP53MAPTMAOAMAOB
SCHEMBL3993825 0.89 TP53 (0.59) CNR2TP53MAPTMAOAMAOB
SCHEMBL4042357 0.89 CNR2 (0.54) CNR2TP53MAPTMAOAMAOB
SCHEMBL4520770 0.88 MAOA (0.46) CNR2TP53MAPTMAOAMAOB
SCHEMBL3883027 0.88 CNR2 (0.54) CNR2TP53MAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230107927-A1 METHODS OF TREATING IATROGENIC AUTOIMMUNE COLITIS FIRST WAVE BIO, INC. 2023-04-06 US claimed
US-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US claimed
EP-3723801-B9 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR BIORA THERAPEUTICS INC (US) 2023-10-04 EP disclosed
EP-3723801-B1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR BIORA THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-20230107927-A1 METHODS OF TREATING IATROGENIC AUTOIMMUNE COLITIS FIRST WAVE BIO, INC. 2023-04-06 US disclosed
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR GLAS USA LLC 2022-05-05 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-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 CNR2 538/4885TP53 487/4885MAPT 3872/4885
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR S1PR2, S1PR1, S1PR4 CNR2 136/4885TP53 3744/4885MAPT 3035/4885

“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.