SCHEMBL19628592

SCHEMBL19628592

CCC[C@@H]1CCC[C@@H]2CCCN21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.36
CHRNA7 P36544 3/20 0.36
CHRNA4 P43681 3/20 0.36
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
LMNA P02545 1/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 2/20 0.31
S1PR4 O95977 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL16382235 0.94 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4PSEN1PSEN2
SCHEMBL12717782 0.94 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4PSEN1PSEN2
SCHEMBL21134659 0.94 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4PSEN1PSEN2
SCHEMBL10992013 0.92 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4LMNADPP4
SCHEMBL12717785 0.92 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4PSEN1PSEN2
SCHEMBL9689054 0.86 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL12718156 0.86 METAP2 (0.34) CHRNB2CHRNA7CHRNA4PSEN1PSEN2
SCHEMBL12718160 0.86 METAP2 (0.34) CHRNB2CHRNA7CHRNA4PSEN1PSEN2
SCHEMBL2477311 0.85 GNAO1 (0.34) CHRNB2CHRNA7CHRNA4PSEN1PSEN2
SCHEMBL10861805 0.83 KMT2A (0.33) CHRNB2CHRNA7CHRNA4LMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334831-A1 Kinetic resolution of racemic hydroxy ester via asymmetric catalytic hydrogenation and application thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2017-11-23 US 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-20170334831-A1 Kinetic resolution of racemic hydroxy ester via asymmetric catalytic hydrogenation and application thereof CYP8B1, CYP3A5, HRH4 CHRNB2 247/4885CHRNA7 801/4885CHRNA4 237/4885

“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.