SCHEMBL2006982

SCHEMBL2006982

C[C@H]1CCCN(CCCBr)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
KDM4E B2RXH2 2/20 0.48
MAOB P27338 2/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HTR7 P34969 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
SCHEMBL27711463 1.00 HRH3 (0.48) HRH3KDM4EMAOBHRH2HRH1
Bromide SCHEMBL738069 0.98 HRH3 (0.47) HRH3KDM4EMAOBHRH2HRH1
Bromide SCHEMBL736690 0.90 KDM4E (0.43) HRH3KDM4EALDH1A1LMNAMAPT
SCHEMBL9374424 0.88 HRH3 (0.53) HRH3KDM4EMAOBHRH2HRH1
SCHEMBL205774 0.82 HRH3 (0.49) HRH3KDM4EMAOBALDH1A1LMNA
SCHEMBL12513823 0.81 BCHE (0.55) HRH3MAOB
SCHEMBL7170601 0.81 HRH3 (0.48) HRH3KDM4EMAOBHRH2HRH1
SCHEMBL5837843 0.81 HRH3 (0.55) HRH3KDM4EMAOBHRH2HRH1
SCHEMBL2114687 0.81 HRH3 (0.48) HRH3KDM4EHRH2HRH1ALDH1A1
SCHEMBL15101577 0.81 HRH3 (0.65) HRH3KDM4EMAOBHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228127-B Piperidine derivatives BANYU PHARMA CO LTD 2012-05-16 CN disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
CN-1960977-B Quinazoline derivative BANYU PHARMA CO LTD 2010-07-21 CN disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
CN-101228127-A Novel Piperidine Derivatives BANYU PHARMA CO LTD (JP) 2008-07-23 CN disclosed
CN-1960977-A Quinazoline derivative BANYU PHARMA CO LTD (JP) 2007-05-09 CN disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 HRH3 1/4885KDM4E 3385/4885MAOB 2267/4885

“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.