SCHEMBL9865840

SCHEMBL9865840

NCCSCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.58
CYP2A6 P11509 1/20 0.55
HRH1 P35367 2/20 0.51
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
DAO P14920 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
GFER P55789 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL7545506 0.89 CYP2A6 (0.61) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL30732355 0.86 CYP1A2 (0.50) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL29152282 0.86 CYP1A2 (0.50) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL7405579 0.84 CYP1A2 (0.56) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL22922294 0.81 CHRM2 (0.46) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL9267237 0.81 NAPRT (0.46) CHRNA7CYP2A6CYP1A2CYP2D6CYP2C19
Niacin SCHEMBL17633821 0.79 ALDH1A1 (0.57) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL11177988 0.79 CHRM2 (0.47) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL11179366 0.77 CHRM2 (0.42) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL7545498 0.77 CYP2D6 (0.46) CHRNA7CYP1A2CYP2D6CYP2C19CYP3A4

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 24 patents — showing the first 20. 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
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
US-4499101-A HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-02-12 US disclosed
US-4271169-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-06-02 US disclosed
US-4233302-A ANTIHISTAMINES, ANTAGONISTS GLAXO GROUP LIMITED (GB) 1980-11-11 US disclosed
US-4215125-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-29 US disclosed
EP-0002930-A1 Amine derivatives, their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1979-07-11 EP disclosed
US-4152443-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-01 US disclosed
US-4112104-A UREA, THIOUREA OR GUANIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-05 US 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-4025527-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-24 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 CHRNA7 1481/4885CYP2A6 4329/4885HRH1 1554/4885

“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.