SCHEMBL1306545

SCHEMBL1306545

[C]#CCCCCc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.58
NAAA Q02083 1/20 0.53
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HRH3 Q9Y5N1 3/20 0.46
HRH4 Q9H3N8 2/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
APP P05067 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4819213 0.86 HRH1 (0.55) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL726512 0.84 HRH1 (0.76) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL31040594 0.82 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL11734076 0.82 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL5827595 0.82 HRH1 (0.73) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4418086 0.82 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL2843489 0.82 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL659243 0.82 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL11466386 0.81 HRH1 (0.58) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL29485637 0.80 HRH1 (0.69) HRH1NAAACYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
EP-1745014-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2011-07-06 EP disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 US disclosed
EP-1745014-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105736-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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 (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-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA HRH1 1777/4885NAAA 3381/4885CYP1A2 527/4885

“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.