SCHEMBL4599642

SCHEMBL4599642

O=C(O)CN1C(=O)NC2(CCCC2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57
MEN1 O00255 2/20 0.57
FPR2 P25090 2/20 0.56
AKR1B1 P15121 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL14499604 0.84 KMT2A (0.60) KMT2ARAB9ASMN1; SMN2MAPTFPR2
SCHEMBL11774212 0.79 POLB (0.59) KMT2ARAB9ASMN1; SMN2MAPTAKR1B1
SCHEMBL24980367 0.76 AKR1B1 (0.63) KMT2ASMN1; SMN2MEN1FPR2AKR1B1
SCHEMBL5622453 0.76 KMT2A (1.00) KMT2ASMN1; SMN2MEN1FPR2ALDH1A1
SCHEMBL18356377 0.75 KMT2A (0.76) KMT2ARAB9ASMN1; SMN2MAPTAKR1B1
SCHEMBL18355849 0.75 KMT2A (0.76) KMT2ARAB9ASMN1; SMN2MAPTFPR2
SCHEMBL10304450 0.74 POLB (0.62) KMT2ARAB9ASMN1; SMN2MAPTAKR1B1
SCHEMBL11808078 0.74 KMT2A (0.63) KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL11638327 0.74 HSD17B10 (0.57) KMT2ARAB9ASMN1; SMN2MAPTMEN1
SCHEMBL18356190 0.73 KMT2A (0.79) KMT2ARAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2530078-A1 THIAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 WO 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 KMT2A 1629/4885RAB9A 3025/4885SMN1; SMN2 1617/4885

“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.