SCHEMBL441304

SCHEMBL441304

CCNC(=O)c1nc(C)cnc1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ CHIA Q9BZP6 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL439270 0.99 TP53 (0.46) TP53LMNACHIARXFP1KDM4E
SCHEMBL439517 0.88 MTOR (0.43) TP53LMNAL3MBTL1PIK3CDMAPT
SCHEMBL441222 0.77 KDM4E (0.42) KDM4EL3MBTL1NPC1
SCHEMBL439522 0.72 CNR1 (0.36) KDM4E
SCHEMBL440883 0.68 CNR1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL440866 0.67 GRM5 (0.46) LMNAKDM4EHCRTR1HCRTR2L3MBTL1
SCHEMBL12024793 0.66 CHIA (0.47) TP53LMNACHIAMAPT
SCHEMBL23083866 0.64 LMNA (0.44) TP53LMNACHIARXFP1MAPT
SCHEMBL9685127 0.64 HDAC6 (0.43) TP53LMNACHIAMAPTSMN1; SMN2
SCHEMBL15461690 0.64 ALDH1A1 (0.45) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2012-03-15 — — 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-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R TP53 4871/4885LMNA 3745/4885CHIA 1358/4885

“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.

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