SCHEMBL16801693

SCHEMBL16801693

O=C1CN(c2c[nH]c3ccccc23)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR6 P50406 1/20 0.40
PIK3CA P42336 1/20 0.39
BCHE P06276 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN9A Q15858 1/20 0.38
IDO1 P14902 3/20 0.38
LMNA P02545 3/20 0.38
GFER P55789 1/20 0.37
PRKD3 O94806 2/20 0.37
PRKCB P05771 2/20 0.37
PIM1 P11309 2/20 0.37
PRKCA P17252 2/20 0.37
PRKACA P17612 2/20 0.37
PRKCH P24723 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCQ Q04759 2/20 0.37
PRKCD Q05655 2/20 0.37

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
SCHEMBL21047574 0.79 CYP2A6 (0.41) SIRT2SIRT1HTR6BCHECYP2D6
SCHEMBL1442314 0.78 HTR6 (0.63) ADRB1HTR6CYP2D6LMNATSHR
SCHEMBL6407264 0.77 LMNA (0.51) ADRB1HTR6BCHECYP2D6LMNA
SCHEMBL16801594 0.77 PIM1 (0.44) SIRT2SIRT1HTR6LMNAGFER
SCHEMBL21047732 0.77 ALDH1A1 (0.41) HTR6BCHECYP2D6LMNAMET
SCHEMBL21047718 0.75 BCHE (0.42) SIRT2SIRT1ADRB1HTR6BCHE
SCHEMBL2782013 0.74 LMNA (0.51) ADRB1HTR6BCHECYP2D6LMNA
SCHEMBL16801682 0.73 HTR6 (0.56) ADRB1HTR6CYP2D6LMNATSHR
SCHEMBL1413377 0.73 HTT (0.54) ADRB1HTR6BCHECYP2D6LMNA
SCHEMBL5373038 0.72 MEN1 (0.49) CYP2D6SCN9ALMNAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 SIRT2 2184/4885SIRT1 1640/4885ADRB1 1198/4885

“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.