SCHEMBL5633855

SCHEMBL5633855

O=C(NC(c1ccccc1)c1ccccc1)C1CNCCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
XIAP P98170 2/20 0.43
BIRC2 Q13490 1/20 0.43
BIRC8 Q96P09 1/20 0.43
REN P00797 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
CTSC P53634 1/20 0.39
HPGDS O60760 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL24057819 0.81 LMNA (0.60) LMNACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL24056571 0.81 LMNA (0.60) LMNACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL7305357 0.81 LMNA (0.60) LMNACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL5634616 0.80 HDAC3 (0.46) KMT2AMEN1CNR2L3MBTL1ALDH1A1
SCHEMBL27928186 0.77 DPP4 (0.49) TSHRKMT2AMEN1MAPTL3MBTL1
SCHEMBL13604501 0.77 DPP4 (0.49) TSHRKMT2AMEN1MAPTL3MBTL1
SCHEMBL11860116 0.77 DPP4 (0.49) TSHRKMT2AMEN1MAPTL3MBTL1
SCHEMBL12499369 0.76 LMNA (0.68) LMNARENTSHRHPGDSKMT2A
SCHEMBL6632231 0.75 LMNA (0.70) LMNAXIAPBIRC2BIRC8REN
SCHEMBL30341442 0.74 CYP3A4 (0.56) LMNACYP3A4CYP2D6CYP1A2CYP2C19

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 LMNA 976/4885XIAP 2493/4885BIRC2 3080/4885

“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.