SCHEMBL4074032

SCHEMBL4074032

[CH2]C(O)c1ccc(N(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
TSHR P16473 5/20 0.52
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 2/20 0.52
GAA P10253 4/20 0.46
ATM Q13315 1/20 0.46
SLC2A1 P11166 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 3/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HBB P68871 1/20 0.41
CYP1A2 P05177 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41

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
SCHEMBL27270201 0.82 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL8910904 0.80 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL142069 0.80 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL13917807 0.80 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL4886100 0.78 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL17160801 0.78 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10GAA
Benzene SCHEMBL5410809 0.76 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL31518398 0.74 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL12298937 0.74 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL6312542 0.74 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
CN-1224598-C Naphthalene derivatives NOVARTIS AG (CH) 2005-10-26 CN disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
CN-1476424-A Naphthalene derivatives ��˹��ŵ�� 2004-02-18 CN 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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 ALDH1A1 1250/4885TSHR 308/4885ALOX15 1932/4885

“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.