SCHEMBL18959463

SCHEMBL18959463

C[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(NCC6CCOCC6)cc5C(F)(F)F)ccc4F)ccc3[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.37
PRKCD Q05655 1/20 0.37
PIM1 P11309 4/20 0.36
PIM2 Q9P1W9 3/20 0.36
CNR2 P34972 6/20 0.34
CCNT1 O60563 3/20 0.34
ABL1 P00519 2/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
FFAR1 O14842 1/20 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
SCHEMBL23952766 0.89 FFAR1 (0.42) PRKCQPRKCDPIM1PIM2CNR2
SCHEMBL16845954 0.89 FFAR1 (0.42) PRKCQPRKCDPIM1PIM2CNR2
SCHEMBL29423951 0.88 FFAR1 (0.39) PRKCQPRKCDPIM1PIM2CNR2
SCHEMBL23952822 0.85 FFAR1 (0.43) PIM1PIM2CNR2ABL1FFAR1
SCHEMBL18959437 0.77 FFAR1 (0.34) PIM1FFAR1
SCHEMBL18959445 0.77 FFAR1 (0.39) FFAR1
SCHEMBL23952770 0.76 FFAR1 (0.41) CNR2FFAR1
SCHEMBL18959417 0.74 CD274 (0.38) FFAR1
SCHEMBL18959443 0.72 FFAR1 (0.35) PTGS1PTGS2FFAR1
SCHEMBL18959460 0.71 FFAR1 (0.35) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US 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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 PRKCQ 1531/4885PRKCD 1350/4885PIM1 3911/4885

“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.