SCHEMBL19348356

SCHEMBL19348356

O=C1CC(OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.61
ACHE P22303 2/20 0.61
LMNA P02545 1/20 0.42
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
CDC7 O00311 1/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36

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
SCHEMBL17241776 1.00 BCHE (0.61) BCHEACHELMNAPSEN1PSEN2
SCHEMBL17241765 1.00 BCHE (0.61) BCHEACHELMNAPSEN1PSEN2
SCHEMBL19553795 0.87 BCHE (0.48) BCHEACHELMNAPSEN1PSEN2
SCHEMBL6251358 0.78 BCHE (0.94) BCHEACHELMNAPDPK1MTOR
SCHEMBL8715956 0.78 BCHE (0.94) BCHEACHELMNAPDPK1MTOR
SCHEMBL8715953 0.78 BCHE (0.94) BCHEACHELMNAPDPK1MTOR
SCHEMBL12164680 0.78 BCHE (0.94) BCHEACHELMNAPDPK1MTOR
SCHEMBL10444884 0.78 BCHE (0.94) BCHEACHELMNAPDPK1MTOR
Ammonia Solution, Strong SCHEMBL10444883 0.77 BCHE (0.92) BCHEACHELMNAPDPK1MTOR
Ammonia Solution, Strong SCHEMBL9348688 0.77 BCHE (0.92) BCHEACHELMNAPDPK1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834515-B2 Process for synthesis of piperidine alkaloids COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-12-05 US disclosed
US-20170267636-A1 A PROCESS FOR SYNTHESIS OF PIPERIDINE ALKALOIDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-09-21 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-20170267636-A1 A PROCESS FOR SYNTHESIS OF PIPERIDINE ALKALOIDS GALE, PNMT, DPM1 BCHE 422/4885ACHE 1023/4885LMNA 3024/4885

“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.