SCHEMBL4920022

SCHEMBL4920022

O=C(NCc1ccccc1)C1CN(OC(=O)C(F)(F)F)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 2/20 0.49
TSHR P16473 1/20 0.46
MC4R P32245 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL20401093 0.78 HPGD (0.46) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL17542044 0.77 CYP2C9 (0.43) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL7734264 0.77 F2 (0.47)
SCHEMBL2265106 0.75 PARP1 (0.70)
SCHEMBL25043988 0.75 ALDH1A1 (0.64) ALDH1A1USP2HPGDNPSR1TSHR
SCHEMBL10006606 0.75 MEN1 (0.39) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21641590 0.74 NPC1 (0.38) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL4921942 0.74 TACR1 (0.56) ALDH1A1USP2HPGDNPSR1TSHR
SCHEMBL21640467 0.74 CTH (0.35) POLBMAPT
Trifluoroacetic Acid SCHEMBL4920017 0.74 MC4R (0.63) ALDH1A1USP2HPGDNPSR1TSHR

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-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
EP-1858846-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2007-11-28 EP disclosed
WO-2006097175-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2006-09-21 WO disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 EP 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-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 ALDH1A1 715/4885USP2 2638/4885HPGD 3369/4885

“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.