SCHEMBL3102500

SCHEMBL3102500

Cc1oc(-c2ccc(F)cc2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.39
MCHR1 Q99705 2/20 0.38
CYP2D6 P10635 2/20 0.38
PIK3CB P42338 1/20 0.37
NAMPT P43490 3/20 0.35
IDO1 P14902 3/20 0.35
GCG P01275 4/20 0.34
RCE1 Q9Y256 1/20 0.34
TACR2 P21452 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13093864 0.93 ALDH1A1 (0.41) MCHR1CYP2D6NAMPTGCGRCE1
SCHEMBL3106912 0.92 MMP13 (0.37) TACR1MCHR1CYP2D6GCGRCE1
SCHEMBL3102136 0.92 ALDH1A1 (0.41) MCHR1CYP2D6NAMPTGCGRCE1
SCHEMBL3107023 0.91 GLP1R (0.39) MCHR1GCG
SCHEMBL3109932 0.90 RCE1 (0.38) CYP2D6PIK3CBNAMPTGCGRCE1
SCHEMBL3109311 0.90 ALDH1A1 (0.41) MCHR1CYP2D6NAMPTGCGRCE1
SCHEMBL3101718 0.90 PTGS2 (0.37) MCHR1GCGRCE1
SCHEMBL3098449 0.90 KMT2A (0.35) CYP2D6RCE1MEN1ALDH1A1CYP1A2
SCHEMBL3100094 0.90 GCGR (0.39) MCHR1IDO1GCGNPC1RAB9A
SCHEMBL3112856 0.90 OXTR (0.36) TACR1MCHR1CYP2D6PIK3CBNAMPT

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 8 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-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US 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
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 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 TACR1 545/4885MCHR1 213/4885CYP2D6 1544/4885

“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.