SCHEMBL623616

SCHEMBL623616

CC(C)(C)C1c2cc(CO)ccc2CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
CYP2D6 P10635 3/20 0.36
MTNR1B P49286 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MTNR1A P48039 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
ACE P12821 1/20 0.34
GRIN2C Q14957 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 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
SCHEMBL623843 0.89 DPP4 (0.39) DPP4DPP8CYP2D6MTNR1BKDM4E
SCHEMBL622279 0.85 DPP4 (0.43) DPP4DPP8CYP2D6MTNR1BKDM4E
SCHEMBL30997677 0.82 NR1H2 (0.45) DPP4DPP8MTNR1BMTNR1ADRD2
SCHEMBL20768178 0.82 DPP4 (0.39) DPP4DPP8CYP2D6KMT2AMEN1
SCHEMBL31020103 0.82 DPP4 (0.39) DPP4DPP8CYP2D6KMT2AMEN1
SCHEMBL14575206 0.82 NR1H2 (0.45) DPP4DPP8MTNR1BMTNR1ADRD2
SCHEMBL31020007 0.78 MTNR1B (0.48) CYP2D6MTNR1BACE
SCHEMBL22366344 0.78 MTNR1B (0.48) CYP2D6MTNR1BACE
SCHEMBL3607650 0.75 GHSR (0.44) ACE
SCHEMBL4082356 0.75 DPP4 (0.42) DPP4DPP8MTNR1BMTNR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158842-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-11 US disclosed
US-9045459-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-02 US disclosed
US-20120088790-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-04-12 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-20150158842-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT DPP4 525/4885DPP8 776/4885CYP2D6 305/4885
US-20120088790-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT DPP4 525/4885DPP8 776/4885CYP2D6 305/4885

“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.