SCHEMBL292471

SCHEMBL292471

CC1(C)O[C@@H](COCc2ccccc2)[C@@H](CI)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HTR1A P08908 1/20 0.39
LMNA P02545 1/20 0.38
NT5E P21589 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SLC6A2 P23975 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR3 P32745 1/20 0.34
SSTR5 P35346 1/20 0.34
TACR2 P21452 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL27755429 1.00 TSHR (0.41) TSHRTAAR1HTR1ALMNANT5E
SCHEMBL10489974 1.00 TSHR (0.41) TSHRTAAR1HTR1ALMNANT5E
SCHEMBL10978460 0.92 TSHR (0.48) TSHRTAAR1HTR1ALMNACTSL
SCHEMBL10978467 0.92 TSHR (0.48) TSHRTAAR1HTR1ALMNACTSL
SCHEMBL15892812 0.91 TSHR (0.47) TSHRTAAR1HTR1ALMNANT5E
SCHEMBL15892809 0.91 TSHR (0.47) TSHRTAAR1HTR1ALMNANT5E
SCHEMBL12770604 0.88 TSHR (0.39) TSHRTAAR1HTR1ALMNANT5E
SCHEMBL12552585 0.88 TSHR (0.39) TSHRTAAR1HTR1ALMNANT5E
SCHEMBL15892796 0.86 TSHR (0.42) TSHRTAAR1HTR1ALMNACTSL
SCHEMBL15892795 0.86 TSHR (0.42) TSHRTAAR1HTR1ALMNANT5E

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
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 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-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 TSHR 435/4885TAAR1 31/4885HTR1A 68/4885

“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.