Sugi Predict

Sugi Predict / Compounds / SCHEMBL3697248

SCHEMBL3697248

SCHEMBL3697248

OCc1cc(Br)cnc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.40
▸ DPP4 P27487 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ PLAU P00749 1/20 0.32
▸ DYRK1A Q13627 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PDXK O00764 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
Hydrochloric Acid SCHEMBL3701970 0.98 OPRK1 (0.39) OPRK1DPP4PTGDR2KMT2AHTT
SCHEMBL21591654 0.86 OPRK1 (0.38) OPRK1DPP4PTGDR2KMT2AHTT
SCHEMBL21591679 0.81 OPRK1 (0.35) OPRK1PTGDR2KMT2AMEN1ALDH1A1
SCHEMBL24502939 0.80 KMT2A (0.41) OPRK1PTGDR2KMT2AHTTMEN1
SCHEMBL15507945 0.77 OPRK1 (0.39) OPRK1PTGDR2KMT2AHTTMEN1
SCHEMBL1543624 0.77 PDXK (0.46) OPRK1PTGDR2KMT2AHTTMEN1
SCHEMBL1577538 0.77 HTT (0.34) OPRK1KMT2AHTTPLAUDYRK1A
SCHEMBL1577276 0.77 AGBL2 (0.37) OPRK1DPP4KMT2AHTTMAPT
SCHEMBL15004184 0.77 KDM4E (0.46) OPRK1PTGDR2KMT2AHTTMEN1
SCHEMBL4541092 0.77 OPRK1 (0.39) OPRK1PTGDR2KMT2AHTTMEN1

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 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653049-A2 CGRP ANTAGONIST COMPOUNDS Nxera Pharma UK Limited (GB) 2025-11-26 — — EP disclosed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
EP-3983417-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 — — EP disclosed
EP-3983416-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 — — EP disclosed
US-12344621-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-07-01 — — US disclosed
US-20250136616-A1 CGRP ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2025-05-01 — — US disclosed
US-12227521-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-02-18 — — US disclosed
CN-114245797-B CGRP antagonist compounds 奈克斯拉制药英国有限公司 2024-09-17 — — CN disclosed
CN-114245798-B CGRP antagonist compounds 奈克斯拉制药英国有限公司 2024-08-27 — — CN disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 — — WO disclosed
WO-2012064910-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-18 — — WO disclosed
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — US disclosed
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — US disclosed
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — US disclosed
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — US disclosed
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — US disclosed
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — US disclosed
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — US disclosed
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — US disclosed
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — 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 (6 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-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 OPRK1 141/4885DPP4 1351/4885PTGDR2 77/4885
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 OPRK1 141/4885DPP4 1351/4885PTGDR2 77/4885
US-20250136616-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, OPRL1 OPRK1 25/4885DPP4 2082/4885PTGDR2 124/4885
US-12227521-B2 CGRP antagonist compounds CALCRL, CALCR, OPRL1 OPRK1 25/4885DPP4 2082/4885PTGDR2 124/4885
US-12344621-B2 CGRP antagonist compounds CALCRL, CALCR, CALCA OPRK1 27/4885DPP4 2095/4885PTGDR2 84/4885
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 OPRK1 141/4885DPP4 1351/4885PTGDR2 77/4885

“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.