SCHEMBL14616989

SCHEMBL14616989

CC(C)C(=O)N1C(C)CCC1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.44
DPP4 P27487 3/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.37
PIK3CD O00329 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 2/20 0.32
GLA P06280 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
SCHEMBL13819923 1.00 PHGDH (0.44) PHGDHDPP4ALDH1A1CYP1A2CYP3A4
SCHEMBL13819922 1.00 PHGDH (0.44) PHGDHDPP4ALDH1A1CYP1A2CYP3A4
SCHEMBL24735809 0.91 RECQL (0.50) PHGDHDPP4ALDH1A1CYP1A2CYP3A4
SCHEMBL13733942 0.85 CHRNB2 (0.43) PHGDHDPP4ALDH1A1CYP1A2CYP3A4
SCHEMBL15434854 0.82 DPP4 (0.40) PHGDHDPP4
SCHEMBL19528227 0.81 PHGDH (0.41) PHGDHDPP4ALDH1A1RECQLMEN1
SCHEMBL19658092 0.81 PHGDH (0.41) PHGDHDPP4ALDH1A1RECQLMEN1
SCHEMBL15038544 0.81 PHGDH (0.41) PHGDHDPP4ALDH1A1RECQLMEN1
SCHEMBL24735807 0.79 CHRNB2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19CHRNB2
SCHEMBL22991228 0.79 PIK3CD (0.44) DPP4ALDH1A1CYP1A2CYP3A4CYP2C19

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
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-8901146-B2 Aminoalkylpyrimidine derivatives as histamine H4 receptor antagonists MEDICIS PHARMACEUTICAL CORPORATION (US) 2014-12-02 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-01-17 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 (2 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-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 PHGDH 880/4885DPP4 662/4885ALDH1A1 1106/4885
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR PHGDH 2605/4885DPP4 620/4885ALDH1A1 1827/4885

“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.