SCHEMBL9104836

SCHEMBL9104836

CCCNc1nc(NCCC)c2ccn(C)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.48
BCHE P06276 4/20 0.48
ACHE P22303 4/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC2A1 P11166 1/20 0.42
CASP6 P55212 1/20 0.41
MERTK Q12866 2/20 0.39
PDE5A O76074 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CYP1A2 P05177 1/20 0.38
CDK1 P06493 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL9102572 0.91 APP (0.43) APPBCHEACHEMEN1KMT2A
SCHEMBL9236363 0.90 APP (0.42) APPBCHEACHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9232944 0.89 APP (0.41) APPBCHEACHEMEN1KMT2A
SCHEMBL9235295 0.89 APP (0.41) APPBCHEACHEMEN1KMT2A
SCHEMBL9238122 0.88 APP (0.40) APPBCHEACHEMEN1KMT2A
SCHEMBL9237808 0.88 APP (0.40) APPBCHEACHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9236979 0.88 APP (0.40) APPBCHEACHEMEN1KMT2A
SCHEMBL9104296 0.88 BCDIN3D (0.42) APPBCHEACHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9239012 0.86 APP (0.40) APPBCHEACHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9102361 0.86 APP (0.40) APPBCHEACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646423-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES Galleon Pharmaceuticals, Inc. (US) 2013-10-09 EP disclosed
WO-2012074999-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2012-06-07 WO disclosed
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-06-07 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-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases MTNR1B, CHRM3, ADRA2C APP 3078/4885BCHE 119/4885ACHE 75/4885

“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.