SCHEMBL3106773

SCHEMBL3106773

Cc1cc(Cl)ccc1-c1cc(C(Cl)C2CCCCC2)c(C)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.33
HMGCR P04035 1/20 0.32
IDO1 P14902 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32
CRHR1 P34998 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31

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
SCHEMBL3104433 0.90 NPC1 (0.40) CRHR1LMNAHPGDSMN1; SMN2CNR1
SCHEMBL3106839 0.86 IDO1 (0.36) NOTUMIDO1CYP1A2CYP3A4CYP2D6
SCHEMBL3101573 0.86 OPRL1 (0.33) HMGCRIDO1NPC1RAB9A
SCHEMBL3102056 0.83 NPC1 (0.43) SMN1; SMN2NPC1RAB9AMMP13
SCHEMBL3112727 0.79 ACKR3 (0.36) PDE4BCNR1NPC1RAB9A
SCHEMBL3100038 0.77 NPC1 (0.41) IDO1CYP1A2CRHR1LMNAHPGD
SCHEMBL3107059 0.76 MAOB (0.37) CYP1A2CYP3A4CYP2D6LMNAHPGD
SCHEMBL3106770 0.75 NR1H4 (0.35) CYP3A4CYP2D6HPGDSMN1; SMN2CNR1
SCHEMBL3095293 0.75 RCE1 (0.43) CYP3A4CYP2D6MAPKAPK2KDM1ARCOR1
SCHEMBL3106514 0.75 MAOB (0.38) CYP1A2CYP3A4CYP2D6LMNAHPGD

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 NOTUM 2196/4885HMGCR 2557/4885IDO1 1206/4885

“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.