SCHEMBL8326296

SCHEMBL8326296

COC(=O)C[C@H](C)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
CYP1A2 P05177 1/20 0.45
FOLH1 Q04609 6/20 0.39
ANPEP P15144 1/20 0.38

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
SCHEMBL8852570 1.00 TSHR (0.48) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3309517 0.87 TSHR (0.52) TSHRMAPTSLC1A1
SCHEMBL3584800 0.87 TSHR (0.52) TSHRMAPTSLC1A1
SCHEMBL27990232 0.86 TSHR (0.53) TSHRENPEPKDM4AKDM4CKDM2A
SCHEMBL2474872 0.85 GABRP (0.46) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9094253 0.83 MGAM (0.44) TSHRMAPTSLC1A1
SCHEMBL3872540 0.83 TSHR (0.48) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL20013973 0.82 TSHR (0.41) TSHRMAPTSLC1A1
SCHEMBL27986981 0.82 TSHR (0.41) TSHRFOLH1MAPTSLC1A1
SCHEMBL15237382 0.81 TSHR (0.50) TSHRGABRPGABRDGABRA1GABRB1

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-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-29 US disclosed
EP-0789571-A4 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO INC (US) 1999-04-14 EP disclosed
EP-0789571-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE Merck & Co., Inc. (US) 1997-08-20 EP disclosed
US-5629322-A TREATMENT OF NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION MERCK & CO., INC. (US) 1997-05-13 US disclosed
WO-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 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-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF HTR5A, EDNRA, HTR3E TSHR 111/4885GABRP 267/4885GABRD 293/4885

“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.