SCHEMBL1892469

SCHEMBL1892469

O=C1c2ccccc2C(=O)N1CCCC#Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR1A P08908 1/20 0.42
GRM5 P41594 3/20 0.42
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL1894591 0.84 RAB9A (0.50) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL612840 0.83 TDP1 (0.56) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL6122839 0.78 RAB9A (0.50) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL3231459 0.75 TDP1 (0.63) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL11758524 0.75 TDP1 (0.53) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL1896049 0.74 CHRNA7 (0.46) CYP1A2CYP2C19GRM5
SCHEMBL10707720 0.74 TDP1 (0.56) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL12709324 0.73 ALDH1A1 (0.45) MAPTRAB9ASMN1; SMN2MMP2MMP3
SCHEMBL4351612 0.72 TDP1 (0.66) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL6898278 0.72 CHRM2 (0.53) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493571-B1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-23 EP disclosed
US-8633322-B2 Alkynyl derivatives useful as DPP-1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-21 US disclosed
EP-2493571-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-09-05 EP disclosed
WO-2011059731-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-19 WO disclosed
US-20110105562-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-05 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-20110105562-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS DPP4, DPP3, DPP7 MAPT 2030/4885RAB9A 2507/4885SMN1; SMN2 2443/4885

“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.