SCHEMBL4295616

SCHEMBL4295616

c1ccc(-c2cc3ccccn3c2)c(OCCCN2CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 1.00
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
PKM P14618 1/20 0.60
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
KCNH2 Q12809 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL4295620 0.83 HRH3 (1.00) HRH3KCNH2
SCHEMBL13660594 0.81 HRH3 (1.00) HRH3KDM4EL3MBTL1KCNH2
SCHEMBL1848971 0.79 HRH3 (0.65) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL1855460 0.78 HRH3 (0.64) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL6421366 0.78 HRH3 (0.77) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL6636931 0.77 HRH3 (0.62) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL6642828 0.75 HRH3 (0.60) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL11020028 0.75 ALDH1A1 (0.85) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL14970458 0.74 KDM4E (0.86) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL6636925 0.72 HRH3 (0.56) HRH3KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268479-B1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARM INC (US) 2004-01-28 EP claimed
EP-1268479-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP claimed
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-12-13 US claimed
WO-2001074814-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO claimed
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
EP-1268479-B1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARM INC (US) 2004-01-28 EP disclosed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP disclosed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
EP-1268479-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO disclosed
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-12-13 US disclosed
WO-2001074814-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 (5 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 7/4885KDM4E 2037/4885ALDH1A1 3059/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885KDM4E 2037/4885ALDH1A1 3059/4885
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines TPH2, TPH1, IDO2 HRH3 406/4885KDM4E 1223/4885ALDH1A1 967/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885KDM4E 2037/4885ALDH1A1 3059/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885KDM4E 2041/4885ALDH1A1 2994/4885

“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.