SCHEMBL4033443

SCHEMBL4033443

O=C(NCc1cccc2ccccc12)C1CN(C(=O)C2CCCCC2)CCN1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
CNR1 P21554 4/20 0.46
MC4R P32245 2/20 0.46
MC1R Q01726 2/20 0.46
MC3R P41968 1/20 0.46
FASN P49327 1/20 0.42
EPHX2 P34913 1/20 0.42
F12 P00748 1/20 0.42
POLB P06746 1/20 0.41
DPP4 P27487 1/20 0.41
CFD P00746 1/20 0.41
LMNA P02545 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
SCHEMBL1383286 0.82 P2RX7 (0.46) P2RX7MC4RMC1RMC3REPHX2
SCHEMBL4034605 0.78 ALDH1A1 (0.48) P2RX7MC4RMC3RF12LMNA
SCHEMBL1381487 0.77 F12 (0.40) MC4RMC3RF12LMNA
SCHEMBL4032376 0.70 ALDH1A1 (0.53) CNR1LMNA
SCHEMBL4944506 0.69 P2RX7 (0.46) P2RX7MC4RMC1RMC3REPHX2
SCHEMBL4944503 0.69 P2RX7 (0.46) P2RX7MC4RMC1RMC3REPHX2
SCHEMBL3681344 0.67 POLB (0.58) P2RX7MC4RMC1RMC3RPOLB
SCHEMBL30946666 0.67 P2RX7 (0.52) P2RX7MC4RMC1RMC3REPHX2
SCHEMBL3573621 0.67 FKBP1A (0.68) POLB
SCHEMBL6701308 0.65 KDM4E (0.61) P2RX7MC4RMC1RMC3REPHX2

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP 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 P2RX7 31/4885CNR1 18/4885MC4R 2182/4885

“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.