SCHEMBL3106835

SCHEMBL3106835

CSCCOc1ccc(-c2cc(C(Cl)C3CCCCC3)c(C)o2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HMGCR P04035 1/20 0.32
ACHE P22303 3/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP13 P45452 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
SCHEMBL3095304 0.95 HRH3 (0.36) HRH3KDM4EALDH1A1HMGCRACHE
SCHEMBL3107182 0.88 HRH3 (0.39) HRH3KDM4EALDH1A1ACHELMNA
SCHEMBL3109737 0.82 HRH3 (0.40) HRH3KDM4EALDH1A1ACHEABCB1
SCHEMBL3102056 0.78 NPC1 (0.43) KDM4EALDH1A1L3MBTL1MMP13
SCHEMBL3095575 0.77 NPC1 (0.38) HMGCRMMP13
SCHEMBL3107059 0.77 MAOB (0.37) KDM4EALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL3106514 0.76 MAOB (0.38) KDM4EALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL3106759 0.75 PDE4A (0.37) HRH3KDM4EALDH1A1HMGCRGAA
SCHEMBL3111672 0.74 TRPV1 (0.39) HRH3LMNACYP1A2CYP2C19CYP2C9
SCHEMBL3106612 0.74 HRH3 (0.33) HRH3KDM4EHMGCR

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 71/4885KDM4E 2280/4885ALDH1A1 3963/4885

“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.