SCHEMBL1662326

SCHEMBL1662326

Fc1[c]ccc(CN2CCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HRH3 Q9Y5N1 2/20 0.44
PRMT6 Q96LA8 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
CHKA P35790 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CXCR4 P61073 1/20 0.38

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
SCHEMBL23166113 0.85 HRH3 (0.50) ALDH1A1HTTSMN1; SMN2HRH3KDM4E
SCHEMBL28444707 0.82 LMNA (0.52) ALDH1A1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL1661473 0.79 ALDH1A1 (0.33) ALDH1A1HTTSMN1; SMN2HRH3KDM4E
SCHEMBL1661531 0.79 MAP4K4 (0.38) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL28002192 0.79 PARP1 (0.46) ALDH1A1
SCHEMBL1661677 0.78 FUCA1 (0.37) ALDH1A1HTT
SCHEMBL21777290 0.76
SCHEMBL6305207 0.74 SMN1; SMN2 (0.57) ALDH1A1HTTSMN1; SMN2HRH3PRMT6
SCHEMBL29144178 0.74 NCF1 (0.40) ALDH1A1HTTHRH3KDM4E
SCHEMBL28001856 0.74 MAP4K4 (0.45) HRH3KDM4E

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
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US claimed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US claimed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 ALDH1A1 1637/4885HTT 4478/4885SMN1; SMN2 2922/4885

“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.