SCHEMBL2904367

SCHEMBL2904367

COc1cc2c(cc1OC)CN(c1c(C)c(C)c3c(c1C)[C@@H](c1ccc(C(C)C)cc1)C(C)(C)O3)C2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.31
TLR4 O00206 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1268230 1.00 AKT1 (0.31) AKT1TLR4RAB9AALDH1A1HTT
SCHEMBL29487577 1.00 AKT1 (0.31) AKT1TLR4RAB9AALDH1A1HTT
SCHEMBL1269359 0.90 TLR4 (0.35) TLR4ALDH1A1
SCHEMBL29567882 0.90 TLR4 (0.35) TLR4ALDH1A1
SCHEMBL2905278 0.90 TLR4 (0.35) TLR4ALDH1A1
SCHEMBL6565862 0.90 DPP4 (0.38)
Bromide SCHEMBL2910934 0.89 TLR4 (0.34) TLR4ALDH1A1
SCHEMBL2775525 0.89
Hydrochloric Acid SCHEMBL2788412 0.89 TLR4 (0.34) TLR4ALDH1A1
Hydrochloric Acid SCHEMBL2912744 0.89 TLR4 (0.34) TLR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP claimed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 US claimed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US claimed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 EP claimed
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP disclosed
US-7750037-B2 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-06 US disclosed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 US disclosed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 AKT1 2/4885TLR4 396/4885RAB9A 1372/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 AKT1 2/4885TLR4 396/4885RAB9A 1372/4885

“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.