SCHEMBL16801801

SCHEMBL16801801

CC(=O)N1CC=C(c2c[nH]c3cnccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
MAPT P10636 8/20 0.47
TP53 P04637 1/20 0.47
NAMPT P43490 1/20 0.47
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 2/20 0.45
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GSK3B P49841 2/20 0.44
DYRK1A Q13627 2/20 0.44
TDO2 P48775 1/20 0.44
NFATC1 O95644 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL18324769 0.91 MAPT (0.47) MAPTTP53NAMPTLMNAPOLB
SCHEMBL14875491 0.89 HTR2A (0.48) HTR2AMAPTTP53LMNAPOLB
SCHEMBL12326386 0.85 GABRP (0.56) MAPTHTR6
SCHEMBL31001707 0.85 GABRP (0.56) MAPTHTR6
SCHEMBL11864713 0.83 LMNA (0.66) HTR2AMAPTTP53LMNAPOLB
SCHEMBL28037610 0.83 KDM4E (0.53) HTR2ALMNAPOLBKDM4EALOX15
SCHEMBL16801502 0.81 MAPT (0.59) MAPTTP53LMNAPOLBKDM4E
SCHEMBL18324770 0.79 TDO2 (0.71) HTR2ALMNAPOLBKDM4EALOX15
SCHEMBL18324729 0.79 CHEK1 (0.63) MAPTTP53LMNAHTR1ASLC6A4
SCHEMBL16801678 0.79 SLC6A4 (0.56) MAPTTP53LMNAPOLBKDM4E

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 5 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-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
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 HTR2A 511/4885MAPT 2964/4885TP53 4206/4885

“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.