SCHEMBL5250398

SCHEMBL5250398

Cc1cc(N2CC=C(C(N)=O)CC2)c2cccc(Br)c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD38 P28907 10/20 0.41
NCF1 P14598 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
CYP3A4 P08684 2/20 0.35
KCNH2 Q12809 1/20 0.35
PIK3R2 O00459 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL5250081 0.85 MAPT (0.35) CD38NCF1MAPTSMN1; SMN2GAA
SCHEMBL5250243 0.71 CRHR1 (0.53) CD38SMN1; SMN2
SCHEMBL5249524 0.68 CRHR1 (0.48) MAPTSMN1; SMN2
SCHEMBL5251141 0.68 NCF1 (0.44) NCF1MAPTSMN1; SMN2GAAHRH4
SCHEMBL5409567 0.67 CRHR1 (0.38) KCNH2
SCHEMBL5248032 0.66 CRHR1 (0.53) CD38SMN1; SMN2PIK3R2
SCHEMBL6588228 0.65 MAPT (0.49) CD38MAPTSMN1; SMN2GAA
SCHEMBL439824 0.63 NR4A2 (0.65) CD38NCF1MAPTSMN1; SMN2GAA
SCHEMBL5249809 0.63 MAPT (0.57) CD38MAPTSMN1; SMN2GAAHRH4
SCHEMBL2284354 0.63 KDM4E (0.62) MAPTSMN1; SMN2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299378-B1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2007-02-14 EP disclosed
US-7160900-B2 Tetrahydropyridino or piperidino heterocyclic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-09 US disclosed
US-6852732-B2 Tetrahydropyridino or piperidino heterocylic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
US-20050009874-A1 Tetrahydropyridin or piperidino heterocyclic derivatives TAISHO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-20040034061-A1 Tetrahydropyridino or piperidino heterocylic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-02-19 US disclosed
EP-1299378-A4 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2004-01-28 EP disclosed
EP-1299378-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES Taisho Pharmaceutical Co. Ltd. (JP) 2003-04-09 EP disclosed
WO-2002002549-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-01-10 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 (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-20050009874-A1 Tetrahydropyridin or piperidino heterocyclic derivatives CRHR1, CRHR2, VIPR1 CD38 1069/4885NCF1 2220/4885MAPT 3511/4885
US-20040034061-A1 Tetrahydropyridino or piperidino heterocylic derivatives CRHR1, CRHR2, AGTR1 CD38 866/4885NCF1 1877/4885MAPT 3323/4885

“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.