SCHEMBL10326683

SCHEMBL10326683

C1CCN(C[C@H]2CCCCN2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
HTR2A P28223 3/20 0.50
KCNH2 Q12809 3/20 0.50
CHRM5 P08912 2/20 0.50
ADRA2C P18825 2/20 0.50
HTR1D P28221 2/20 0.50
HRH1 P35367 2/20 0.50
ADRA1B P35368 2/20 0.50
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
CYP2D6 P10635 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MLNR O43193 1/20 0.46

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
SCHEMBL1997768 1.00 HTR1A (0.50) HTR1AHTR2AKCNH2CHRM5ADRA2C
SCHEMBL1232420 1.00 HTR1A (0.50) HTR1AHTR2AKCNH2CHRM5ADRA2C
SCHEMBL4382179 1.00 HTR1A (0.50) HTR1AHTR2AKCNH2CHRM5ADRA2C
Hydrochloric Acid SCHEMBL8561237 0.98 HTR1A (0.49) HTR1AHTR2AKCNH2CHRM5ADRA2C
SCHEMBL1994505 0.98 HTR1A (0.51) HTR1AHTR2AKCNH2CHRM5ADRA2C
SCHEMBL1994507 0.98 HTR1A (0.51) HTR1AHTR2AKCNH2CHRM5ADRA2C
SCHEMBL8566386 0.98 HTR1A (0.51) HTR1AHTR2AKCNH2CHRM5ADRA2C
Hydrochloric Acid SCHEMBL8563154 0.96 HTR1A (0.50) HTR1AHTR2AKCNH2CHRM5ADRA2C
SCHEMBL13620120 0.94 CHRM5 (0.46) HTR1AHTR2AKCNH2CHRM5ADRA2C
SCHEMBL1995891 0.94 CHRM5 (0.46) HTR1AHTR2AKCNH2CHRM5ADRA2C

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
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
EP-2543437-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2013-01-09 EP disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 HTR1A 3834/4885HTR2A 4555/4885KCNH2 1845/4885

“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.