SCHEMBL3844592

SCHEMBL3844592

O=C(CN1CCN(CC(=O)NCc2ccccc2)CC1)NCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.79
USP2 O75604 1/20 0.79
KMT2A Q03164 3/20 0.76
MEN1 O00255 2/20 0.76
NPSR1 Q6W5P4 1/20 0.76
ALDH1A1 P00352 1/20 0.74
MDM2 Q00987 1/20 0.74
GAA P10253 1/20 0.71
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA7 P43166 2/20 0.67
CA9 Q16790 2/20 0.67
GFER P55789 1/20 0.64
HTR1A P08908 1/20 0.63
HTR7 P34969 1/20 0.63
POLB P06746 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL4818022 0.94 CA1 (0.76) HTTUSP2KMT2AMEN1NPSR1
SCHEMBL12359542 0.92 HTT (0.70) HTTUSP2KMT2AMEN1NPSR1
SCHEMBL6192050 0.92 KMT2A (0.78) HTTUSP2KMT2AMEN1NPSR1
SCHEMBL15307634 0.91 HTT (0.68) HTTUSP2KMT2AMEN1NPSR1
SCHEMBL3838703 0.91 HTT (0.68) HTTUSP2KMT2AMEN1NPSR1
SCHEMBL6524983 0.89 HTT (0.69) HTTUSP2KMT2AMEN1NPSR1
Hydrochloric Acid SCHEMBL3838598 0.88 HTT (0.68) HTTUSP2KMT2AMEN1NPSR1
SCHEMBL24672915 0.87 KMT2A (0.64) HTTUSP2KMT2AMEN1NPSR1
SCHEMBL16117824 0.87 HTT (0.63) HTTUSP2KMT2AMEN1NPSR1
SCHEMBL3838578 0.86 KMT2A (0.70) HTTUSP2KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553092-B1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT SHANGHAI INST PHARM INDUSTRY (CN) 2009-11-04 EP claimed
US-8921319-B2 Serine protease inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-12-30 US disclosed
US-20130267467-A1 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-10 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-20130267467-A1 SERINE PROTEASE INHIBITORS SERPINE1, KLKB1, SERPINC1 HTT 4044/4885USP2 1956/4885KMT2A 2007/4885

“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.