SCHEMBL4294069

SCHEMBL4294069

O=C(CCCCl)Nc1ccc(C2CCC3CCCCN32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4295658 0.97 USP2 (0.43) HRH3ALDH1A1GAANPSR1HSD17B10
SCHEMBL13660620 0.87 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1ALOX15MAPT
SCHEMBL13660613 0.84 ALDH1A1 (0.56) ALDH1A1NPSR1KMT2AMEN1ALOX15
SCHEMBL7177818 0.79 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL7177824 0.79 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL4299069 0.76 TGM2 (0.52) HRH3LMNA
SCHEMBL4299067 0.76 TGM2 (0.52) HRH3LMNA
SCHEMBL4293480 0.74 HRH3 (0.49) HRH3CYP3A4
SCHEMBL4293467 0.74 HRH3 (0.49) HRH3CYP3A4
SCHEMBL4293472 0.74 HRH3 (0.49) HRH3CYP3A4

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 HRH3 7/4885ALDH1A1 3059/4885GAA 1636/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885ALDH1A1 3059/4885GAA 1636/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885ALDH1A1 3059/4885GAA 1636/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885ALDH1A1 2994/4885GAA 1555/4885

“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.