SCHEMBL11210347

SCHEMBL11210347

NCCSCCc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.66
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
TP53 P04637 1/20 0.48
ALDH1A1 P00352 7/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HPGD P15428 1/20 0.45
LMNA P02545 3/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Hydrochloric Acid SCHEMBL17633755 0.98 HRH1 (0.63) HRH1CYP1A2CYP2D6CYP2C19HTT
Hydrochloric Acid SCHEMBL31146770 0.98 HRH1 (0.63) HRH1CYP1A2CYP2D6CYP2C19HTT
Hydrochloric Acid SCHEMBL11207809 0.98 HRH1 (0.63) HRH1CYP1A2CYP2D6CYP2C19HTT
Hydrochloric Acid SCHEMBL31146769 0.98 HRH1 (0.63) HRH1CYP1A2CYP2D6CYP2C19HTT
SCHEMBL1825837 0.88 HTT (0.58) HRH1HTTMAPK1TP53ALDH1A1
SCHEMBL29595035 0.88 HTT (0.58) HRH1HTTMAPK1TP53ALDH1A1
SCHEMBL31058801 0.85 HTT (0.55) HRH1HTTMAPK1TP53ALDH1A1
SCHEMBL31058797 0.85 HTT (0.55) HRH1HTTMAPK1TP53ALDH1A1
SCHEMBL21427814 0.85 HTT (0.55) HRH1HTTMAPK1TP53ALDH1A1
SCHEMBL31058794 0.85 HTT (0.55) HRH1HTTMAPK1TP53ALDH1A1

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-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 WO disclosed
EP-0002930-B1 AMINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1983-12-14 EP disclosed
US-4304780-A Aminoalkylthiophene derivatives as histamine H2 -antagonists GLAXO GROUP LIMITED (GB) 1981-12-08 US disclosed
US-4279911-A ANTIHISTAMINES GLAXO GROUP LIMITED (GB) 1981-07-21 US disclosed
US-4233302-A ANTIHISTAMINES, ANTAGONISTS GLAXO GROUP LIMITED (GB) 1980-11-11 US disclosed
EP-0002930-A1 Amine derivatives, their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1979-07-11 EP disclosed
US-4080459-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-03-21 US disclosed
US-4067984-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-10 US disclosed
US-4013769-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 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 (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-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MAX, SPR, CCL2 HRH1 1554/4885CYP1A2 3926/4885CYP2D6 4223/4885

“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.