SCHEMBL16801665

SCHEMBL16801665

CC(=O)N1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.59
MAPT P10636 8/20 0.48
HTR6 P50406 1/20 0.46
LMNA P02545 1/20 0.46
BTK Q06187 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
TDO2 P48775 1/20 0.45
QDPR P09417 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
SCHEMBL16801569 0.92 SLC6A4 (0.71) SLC6A4HTR6
SCHEMBL16801502 0.86 MAPT (0.59) SLC6A4MAPTHTR6LMNAPOLB
SCHEMBL16801678 0.84 SLC6A4 (0.56) SLC6A4MAPTHTR6LMNAPOLB
SCHEMBL6345407 0.82 SLC6A4 (0.69) SLC6A4HTR6
SCHEMBL18324802 0.81 MAPT (0.52) MAPTLMNAPOLBTP53TDO2
SCHEMBL11864713 0.81 LMNA (0.66) SLC6A4MAPTHTR6LMNAPOLB
Oxalic Acid SCHEMBL7865005 0.81 KDM4E (0.59) SLC6A4HTR6LMNA
SCHEMBL18324766 0.79 SLC6A4 (0.49) SLC6A4MAPTLMNAPOLBTDO2
SCHEMBL16801553 0.79 SLC6A4 (0.67) SLC6A4MAPTLMNA
SCHEMBL4881377 0.79 SLC6A4 (0.63) SLC6A4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082802-B1 TRYPTOPHAN-2,3-DIOXYGENASE (TDO) AND/OR INDOLAMINE-2,3-DIOXYGENASE (IDO) INHIBITORS AND THEIR USE IOMET PHARMA LTD (GB) 2020-02-26 EP disclosed
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 SLC6A4 73/4885MAPT 2964/4885HTR6 15/4885

“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.