SCHEMBL5216263

SCHEMBL5216263

O=C(c1ccc(-c2ccc(OCCCCl)cc2)cc1)N1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.76
HPGD P15428 6/20 0.72
ALDH1A1 P00352 4/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
KDM4E B2RXH2 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
MAPK1 P28482 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
SCHEMBL7594948 0.88 HRH3 (0.77) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL7595727 0.85 HRH3 (0.78) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL4089542 0.85 HRH3 (0.97) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL7599220 0.79 HRH3 (0.93) HRH3HPGDALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5935356 0.79 HRH3 (0.87) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL7592497 0.78 HRH3 (0.78) HRH3HPGDL3MBTL1
SCHEMBL5217570 0.78 HRH3 (1.00) HRH3
SCHEMBL7594388 0.77 HRH3 (0.66) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL7593369 0.77 HRH3 (0.66) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL7599273 0.77 HRH3 (0.90) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 EP disclosed
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed
US-6515013-B2 For diseases or conditions caused by or exacerbated by histamine-3 receptor activity ABBOTT LABORATORIES 2003-02-04 US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US disclosed
US-20020111340-A1 Aminoalkoxybiphenylcarboxamides as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-08-15 US disclosed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US disclosed
US-6316475-B1 TREATMENT OF CANCER, ASTHMA, HEART DISEASES, SEIZURES, INFLAMMATION ABBOTT LABORATORIES 2001-11-13 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 (3 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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885HPGD 495/4885ALDH1A1 962/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885HPGD 495/4885ALDH1A1 962/4885
US-20020111340-A1 Aminoalkoxybiphenylcarboxamides as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 HRH3 1/4885HPGD 1298/4885ALDH1A1 702/4885

“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.