SCHEMBL6854249

SCHEMBL6854249

CC[C@@H](N)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
DPP4 P27487 2/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP17A1 P05093 3/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
CYP19A1 P11511 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3466160 1.00 SLC6A4 (0.52) SLC6A4DPP4CYP3A4CYP2C19CYP17A1
SCHEMBL744414 1.00 SLC6A4 (0.52) SLC6A4DPP4CYP3A4CYP2C19CYP17A1
SCHEMBL3741345 0.82 DPP4 (0.44) SLC6A4DPP4CYP3A4CYP2C19CYP17A1
SCHEMBL14643273 0.82 DPP4 (0.44) SLC6A4DPP4CYP3A4CYP2C19CYP17A1
SCHEMBL23092069 0.82 SLC6A4 (0.70) SLC6A4CYP3A4CYP2C19SLC6A2SLC6A3
SCHEMBL5346174 0.79 SLC2A1 (0.47) SLC6A4DPP4CYP3A4CYP2C19CYP17A1
SCHEMBL3522772 0.78 DPP4 (0.48) SLC6A4DPP4CYP3A4CYP2C19SLC6A2
SCHEMBL25532686 0.78 DPP4 (0.48) SLC6A4DPP4CYP3A4CYP2C19SLC6A2
SCHEMBL10002431 0.76 DPP4 (0.47) SLC6A4DPP4CYP3A4CYP2C19CYP17A1
SCHEMBL22694641 0.76 DPP4 (0.52) SLC6A4DPP4CYP3A4CYP2C19SLC6A2

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-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2019-10-17 US disclosed
US-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2019-10-17 US disclosed
WO-2018118705-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS EXITHERA PHARMACEUTICALS, INC. (US) 2018-06-28 WO disclosed
WO-2011013644-A1 SUBSTITUTED PIPERIDINE COMPOUND 第一三共株式会社 (JP) 2011-02-03 WO 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-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 SLC6A4 4289/4885DPP4 578/4885CYP3A4 3041/4885

“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.