SCHEMBL14650779

SCHEMBL14650779

COc1ccc(N2CCCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
DHFR P00374 1/20 0.50
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PIM1 P11309 1/20 0.46
MAOB P27338 1/20 0.46
CACNA1H O95180 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
CNR2 P34972 3/20 0.44
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL27837554 0.98 UBE2T (0.50) UBE2THRH3DHFRMAPTALDH1A1
SCHEMBL3920532 0.86 DHFR (0.48) UBE2THRH3DHFRMAPTALDH1A1
SCHEMBL24921472 0.84 KDM4E (0.61) DHFRMAPTALDH1A1LMNAMEN1
SCHEMBL2224435 0.84 ADRB1 (0.57) HRH3DHFR
SCHEMBL5239769 0.82 EGLN1 (0.49) DHFRMAPTALDH1A1MEN1KMT2A
SCHEMBL9366521 0.82 HRH3 (0.65) HRH3DHFRALDH1A1MEN1KMT2A
SCHEMBL8931718 0.79 KMT2A (0.54) DHFRMAPTALDH1A1LMNAMEN1
SCHEMBL27526717 0.78 TRPV1 (0.47) UBE2THRH3MAPTALDH1A1LMNA
SCHEMBL22297534 0.78 GPR119 (0.55) HRH3DHFRME2ME1ME3
SCHEMBL30790747 0.78 HRH3 (0.53) HRH3DHFRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785634-B2 Spiropiperidine prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP (US) 2014-07-22 US disclosed
US-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-01-24 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 (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-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, PEPD UBE2T 3192/4885HRH3 4638/4885DHFR 818/4885

“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.