SCHEMBL14707129

SCHEMBL14707129

CC(=O)N1CCC(c2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.54
▸ S1PR3 Q99500 2/20 0.54
▸ HDAC3 O15379 3/20 0.52
▸ HDAC1 Q13547 3/20 0.52
▸ HDAC2 Q92769 3/20 0.52
▸ HDAC8 Q9BY41 3/20 0.52
▸ HDAC6 Q9UBN7 3/20 0.52
▸ P2RY14 Q15391 2/20 0.52
▸ ADRB3 P13945 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ DRD5 P21918 1/20 0.52
▸ HTR1D P28221 1/20 0.52
▸ HTR1E P28566 1/20 0.52
▸ TSPO P30536 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ HTR5A P47898 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ ENPP2 Q13822 1/20 0.46

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
SCHEMBL14242824 0.92 S1PR1 (0.54) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17965095 0.91 S1PR1 (0.56) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL14242828 0.88 P2RY14 (0.55) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL14696380 0.87 S1PR1 (0.49) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL19413527 0.85 S1PR1 (0.50) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17965098 0.83 MGLL (0.49) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17965166 0.81 S1PR1 (0.49) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL14242764 0.80 P2RY14 (0.55) P2RY14CETPTLR9
Trifluoroacetic Acid SCHEMBL14157377 0.80 HDAC3 (0.52) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17964995 0.80 S1PR1 (0.48) S1PR1S1PR3HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-11-30 — — US disclosed
US-9777018-B2 Compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 — — US disclosed
US-9777018-B2 Compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 — — US disclosed
US-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-12-17 — — US disclosed
US-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-12-17 — — US disclosed
US-9181214-B2 Bicyclic compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-11-10 — — US disclosed
US-20130045986-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2013-02-21 — — 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 (3 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-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 S1PR1 549/4885S1PR3 587/4885HDAC3 983/4885
US-20130045986-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 S1PR1 549/4885S1PR3 587/4885HDAC3 983/4885
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 S1PR1 549/4885S1PR3 587/4885HDAC3 983/4885

“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.

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