SCHEMBL2897271

SCHEMBL2897271

CCCNCCc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
MPO P05164 2/20 0.35
HTR1D P28221 1/20 0.33
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
DRD2 P14416 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL31364605 0.90 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL31364603 0.90 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL20834976 0.89 HRH4 (0.44) HRH4HRH3MPOALDH1A1SIGMAR1
SCHEMBL20835000 0.88 HRH4 (0.50) HRH4HRH3MPODRD2ALDH1A1
SCHEMBL859796 0.88 SIGMAR1 (0.45) HRH4HRH3MPOHTR1DALDH1A1
SCHEMBL2893056 0.87 HRH4 (0.38) HRH4HRH3MPOSLC6A2HTR2A
Hydrochloric Acid SCHEMBL1308667 0.85 HRH4 (0.37) HRH4HRH3MPOSLC6A2HTR2A
SCHEMBL9560353 0.81 MPO (0.35) MPO
SCHEMBL7333423 0.81
SCHEMBL7333427 0.81 CA12 (0.37) ALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137391-A1 Histamine H3 Agonist for use as Therapeutic Agent for a Lipid/Glucose Metabolic Disorder MSD K.K. (JP) 2010-06-03 US disclosed
EP-1938838-A1 HISTAMINE H3 AGONIST FOR USE AS THERAPEUTIC AGENT FOR LIPID/GLUCOSE METABOLIC DISORDER BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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-20100137391-A1 Histamine H3 Agonist for use as Therapeutic Agent for a Lipid/Glucose Metabolic Disorder GPR119, HRH3, HRH4 HRH4 3/4885HRH3 2/4885MPO 2292/4885

“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.