SCHEMBL3109737

SCHEMBL3109737

CSCCCOc1ccc(-c2cc(C(O)C3CCCCC3)c(C)o2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.40
ACHE P22303 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL3107182 0.95 HRH3 (0.39) HRH3ACHEMEN1KMT2AKDM4E
SCHEMBL3095304 0.88 HRH3 (0.36) HRH3ACHEMEN1KMT2AKDM4E
SCHEMBL3106835 0.82 HRH3 (0.35) HRH3ACHEMEN1KMT2AKDM4E
SCHEMBL3102426 0.81 MMP13 (0.45) KMT2AKDM4EKCNH2ALDH1A1
SCHEMBL3090795 0.80 RCE1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL3098878 0.78 SCN10A (0.40) ACHEKDM4EALDH1A1
SCHEMBL3106796 0.77 NPC1 (0.40) MEN1KMT2A
SCHEMBL3095713 0.77 NPC1 (0.45) KDM4EALDH1A1
SCHEMBL3113043 0.76 ALDH1A1 (0.39) HRH3MEN1KMT2ACYP3A4CYP2D6
SCHEMBL3095541 0.75 ALDH1A1 (0.40) MEN1KMT2AKDM4ECYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (1 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR HRH3 71/4885ACHE 3233/4885MEN1 233/4885

“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.