SCHEMBL5635281

SCHEMBL5635281

O=C(NC(=O)C1CNCCN1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
EPHX1 P07099 1/20 0.43
MMP2 P08253 2/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
PGR P06401 1/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
MMP1 P03956 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 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
SCHEMBL5634308 0.76 ALPL (0.43) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL11242758 0.73 CYP1A2 (0.49) ALDH1A1MC4RCA12CA1CA9
SCHEMBL5634616 0.71 HDAC3 (0.46) ALDH1A1
SCHEMBL11860116 0.71 DPP4 (0.49) EPHX1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL27928186 0.71 DPP4 (0.49) EPHX1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL13604501 0.71 DPP4 (0.49) EPHX1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL6597169 0.71 ALDH1A1 (0.41) HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL12479526 0.71 GLA (0.43) ALDH1A1LMNATSHRSMN1; SMN2CA12
SCHEMBL7458889 0.70 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8397188 0.70 CTSC (0.49) TSHRMC4R

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-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R EZH2 2812/4885CHRNB2 908/4885CHRNB4 1281/4885

“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.