SCHEMBL3353834

SCHEMBL3353834

Cc1cc(C[C@@H](O)C(=O)O)cc2cn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCA P06881 17/20 0.41
KDM6B O15054 1/20 0.38
CALCRL Q16602 2/20 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
SCHEMBL3353840 1.00 CALCA (0.41) CALCAKDM6BCALCRL
SCHEMBL5573239 0.85 CYP1A2 (0.41) CALCACALCRL
SCHEMBL28708104 0.85 CALCA (0.40) CALCACALCRL
SCHEMBL22796661 0.85 CALCA (0.40) CALCACALCRL
SCHEMBL140133 0.85 SLC7A5 (0.42) CALCACALCRL
SCHEMBL18814354 0.85 SLC7A5 (0.42) CALCACALCRL
SCHEMBL22774420 0.85 SLC7A5 (0.42) CALCACALCRL
Hydrochloric Acid SCHEMBL22773983 0.84 SLC7A5 (0.41) CALCACALCRL
Hydrochloric Acid SCHEMBL22773984 0.84 SLC7A5 (0.41) CALCACALCRL
Hydrochloric Acid SCHEMBL31180181 0.84 SLC7A5 (0.41) CALCACALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4703362-A1 COMPOUND CONTAINING OXO-PYRIDO-ALIPHATIC RING OR ALIPHATIC HETEROCYCLIC STRUCTURE, AND MEDICAL USE THEREOF Chengdu Sibeibo Pharmaceutical Technology Co., Ltd (CN) 2026-03-04 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
WO-2025061141-A1 PHARMACEUTICAL COMPOSITION HAVING IMPROVED PHARMACOKINETIC PROPERTIES 成都思倍博医药科技有限公司 2025-03-27 WO disclosed
WO-2024222889-A1 COMPOUND CONTAINING OXO-PYRIDO-ALIPHATIC RING OR ALIPHATIC HETEROCYCLIC STRUCTURE, AND MEDICAL USE THEREOF 成都思倍博医药科技有限公司 2024-10-31 WO disclosed
CN-114245798-B CGRP antagonist compounds 奈克斯拉制药英国有限公司 2024-08-27 CN disclosed
US-20220306651-A1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-09-29 US disclosed
EP-3983416-A1 CGRP ANTAGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2022-04-20 EP disclosed
CN-114245798-A CGRP antagonist compounds 赫普泰雅治疗有限公司 2022-03-25 CN disclosed
WO-2020249969-A1 CGRP ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2020-12-17 WO disclosed
WO-2020249969-A1 CGRP ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2020-12-17 WO disclosed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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 (3 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-20220306651-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, CALCA CALCA 3/4885KDM6B 4505/4885CALCRL 1/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCA 3/4885KDM6B 4699/4885CALCRL 1/4885
US-12344621-B2 CGRP antagonist compounds CALCRL, CALCR, CALCA CALCA 3/4885KDM6B 4528/4885CALCRL 1/4885

“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.