SCHEMBL4374404

SCHEMBL4374404

c1ccc(NCC2CCCCN2)cc1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
LTA4H P09960 8/20 0.48
KMT2A Q03164 1/20 0.47
KDM1A O60341 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
KCNH2 Q12809 1/20 0.44
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
PRMT5 O14744 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4381640 0.98 POLB (0.56) POLBLTA4HKMT2AKDM1AHTR1A
SCHEMBL1116569 0.95 LTA4H (0.52) POLBLTA4H
SCHEMBL1116568 0.95 LTA4H (0.52) POLBLTA4H
SCHEMBL3329262 0.95 LTA4H (0.52) POLBLTA4H
SCHEMBL1751545 0.85 LTA4H (0.51) POLBLTA4HPRMT5
SCHEMBL4654443 0.85 LTA4H (0.51) POLBLTA4HPRMT5
SCHEMBL4320568 0.83 LTA4H (0.58) POLBLTA4H
SCHEMBL13808903 0.83 LTA4H (0.58) POLBLTA4H
SCHEMBL4324109 0.82 LTA4H (0.58) LTA4H
SCHEMBL14409567 0.79 PRKCI (0.51) LTA4HIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1305863-C Method for synthesizing (S)-isopropyl-(2-piperidine) phenyl-methylhistamine UNIV ZHEJIANG (CN) 2007-03-21 CN claimed
US-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA 2009-08-27 US disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (JP) 2007-12-19 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-20090216019-A1 Process for Production of Optically Active Quinuclidinols NQO2, ADH7, MRPL21 POLB 1252/4885LTA4H 2853/4885KMT2A 2875/4885

“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.