SCHEMBL29560101

SCHEMBL29560101

COC(=O)c1ccc2c(c1)C[C@]1(C2)C(=O)N(COCC[Si](C)(C)C)c2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 4/20 0.38
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 2/20 0.32
BACE1 P56817 1/20 0.32
RAMP1 O60894 1/20 0.32
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL22796541 1.00 CALCRL (0.38) CALCRLALOX15HTTNPC1ALDH1A1
SCHEMBL29518078 1.00 CALCRL (0.38) CALCRLALOX15HTTNPC1ALDH1A1
SCHEMBL22796538 1.00 CALCRL (0.38) CALCRLALOX15HTTNPC1ALDH1A1
SCHEMBL29558966 1.00 CALCRL (0.38) CALCRLALOX15HTTNPC1ALDH1A1
SCHEMBL1812906 1.00 CALCRL (0.38) CALCRLALOX15HTTNPC1ALDH1A1
SCHEMBL29416301 1.00 CALCRL (0.38) CALCRLALOX15HTTNPC1ALDH1A1
SCHEMBL31084946 1.00 CALCRL (0.38) CALCRLALOX15HTTNPC1ALDH1A1
SCHEMBL1812252 0.91 CALCRL (0.38) CALCRLNPC1BACE1RAMP1
SCHEMBL28717222 0.91 CALCRL (0.38) CALCRLNPC1BACE1RAMP1
SCHEMBL16912987 0.90 CALCRL (0.35) CALCRLNPC1RAMP1

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 9 patents. 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-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
US-20220306651-A1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-09-29 US disclosed
US-20220251110-A1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-08-11 US disclosed
EP-3983417-A1 CGRP ANTAGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2022-04-20 EP 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 (5 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-20220251110-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, OPRL1 CALCRL 1/4885ALOX15 953/4885HTT 3040/4885
US-20250136616-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, OPRL1 CALCRL 1/4885ALOX15 953/4885HTT 3040/4885
US-20220306651-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, CALCA CALCRL 1/4885ALOX15 1594/4885HTT 2676/4885
US-12227521-B2 CGRP antagonist compounds CALCRL, CALCR, OPRL1 CALCRL 1/4885ALOX15 953/4885HTT 3040/4885
US-12344621-B2 CGRP antagonist compounds CALCRL, CALCR, CALCA CALCRL 1/4885ALOX15 1614/4885HTT 2704/4885

“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.