SCHEMBL4295658

SCHEMBL4295658

O=C(CCCCCl)Nc1ccc(C2CCC3CCCCN32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 6/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
CDK4 P11802 1/20 0.39
CCND3 P30281 1/20 0.39
ADRB2 P07550 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
SCHEMBL4294069 0.97 HRH3 (0.43) USP2KMT2AMEN1CYP3A4ALOX15
SCHEMBL13660620 0.86 ALDH1A1 (0.48) KMT2AMEN1ALOX15ALDH1A1MAPT
SCHEMBL13660613 0.83 ALDH1A1 (0.56) KMT2AMEN1ALOX15ALDH1A1NPSR1
SCHEMBL7177824 0.80 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL7177818 0.80 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL4299069 0.75 TGM2 (0.52) HRH3LMNA
SCHEMBL4299067 0.75 TGM2 (0.52) HRH3LMNA
SCHEMBL4293467 0.73 HRH3 (0.49) CYP3A4HRH3
SCHEMBL4293472 0.73 HRH3 (0.49) CYP3A4HRH3
SCHEMBL4296886 0.73 HRH3 (0.58) KMT2ATDP1HRH3ALDH1A1GAA

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
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
US-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD 2005-12-29 US disclosed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 US disclosed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 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 (4 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-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 USP2 2064/4885KMT2A 1283/4885MEN1 2270/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 USP2 2064/4885KMT2A 1283/4885MEN1 2270/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 USP2 2064/4885KMT2A 1283/4885MEN1 2270/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 USP2 2032/4885KMT2A 1231/4885MEN1 2116/4885

“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.