SCHEMBL363725

SCHEMBL363725

COc1ccc(C[Mg]Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A4 P31645 1/20 0.45
CALM1 P0DP23 2/20 0.44
MAPT P10636 2/20 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
SCHEMBL11536085 0.81 IDO1 (0.56) IDO1CA12CA1CA2CA7
SCHEMBL1295195 0.78 TAAR1 (0.55) IDO1CA12CA1CA2CA7
SCHEMBL5254359 0.77 IDO1 (0.52) IDO1CA12CA1CA2CA7
SCHEMBL467216 0.77 TAAR1 (0.54) IDO1CA12CA1CA2CA7
SCHEMBL467238 0.77 ALDH1A1 (0.50) ALDH1A1TSHRCALM1
Bromide SCHEMBL10874061 0.76 IDO1 (0.50) IDO1CA12CA1CA2CA7
Water SCHEMBL10445073 0.76 TAAR1 (0.52) IDO1CA12CA1CA2CA7
SCHEMBL1006647 0.75 TAAR1 (0.55) IDO1AGXTTAAR1MAOBCMA1
SCHEMBL7161828 0.75 CALM1 (0.56) IDO1TAAR1ALOX15CALM1MAOB
SCHEMBL9294762 0.74 CALM1 (0.55) IDO1TAAR1ALOX15CALM1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-20240391871-A1 SUBSTITUTED HYDROXYMETHYL PYRROLIDINES AND MEDICAL USES THEREOF ATROGI AB (SE) 2024-11-28 US disclosed
EP-4405333-A1 SUBSTITUTED HYDROXYMETHYL PYRROLIDINES AND MEDICAL USES THEREOF Atrogi AB (SE) 2024-07-31 EP disclosed
CN-118215652-A Substituted hydroxymethyl pyrrolidines and medical uses thereof 阿托基公司 2024-06-18 CN disclosed
CN-118184703-A Synthesis method of alpha-substituted chiral phosphonate compound 中国人民解放军军事科学院防化研究院 2024-06-14 CN disclosed
WO-2023046885-A1 SUBSTITUTED HYDROXYMETHYL PYRROLIDINES AND MEDICAL USES THEREOF ATROGI AB (SE) 2023-03-30 WO disclosed
CN-112574011-A One-pot synthesis method of substituted indane compounds 武汉工程大学 2021-03-30 CN disclosed
EP-3207367-B1 METHOD FOR MASS SPECTROMETRY ANALYSIS, COMPOUNDS AND KIT USEFUL THEREFOR LUMIPROBE GMBH (DE) 2019-07-24 EP disclosed
EP-3072897-B1 SPIROKETAL DERIVATIVES AND USE THEREOF AS DIABETIC MEDICINE CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-06-26 EP disclosed
EP-0063799-B1 1-(3-(6-FLUORO-1,2-BENZISOXASOL-3-YL)PROPYL)-4-HYDROXY-4-PHENYLPIPERIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-11-27 EP disclosed
US-4543257-A PENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1985-09-24 US disclosed
US-4416887-A ANALGESICS; ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-11-22 US disclosed
US-4415581-A ANALGESICS; PSYCHOLOGICAL DISORDERS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-11-15 US disclosed
US-4396770-A ANALGESICS, PSYCHOSIS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-08-02 US disclosed
EP-0063799-A2 1-(3-(6-fluoro-1,2-benzisoxasol-3-yl)propyl)-4-hydroxy-4-phenylpiperidines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-11-03 EP disclosed
US-4267188-A USEFUL AS ANTIBIOTICS MERCK & CO., INC. (US) 1981-05-12 US disclosed
US-4176196-A Hypoglycemic arylcyclohexane acetic acids PFIZER INC. (US) 1979-11-27 US disclosed
US-4070541-A Diarylmethylenes ORTHO PHARMACEUTICAL CORPORATION (US) 1978-01-24 US disclosed
US-3936493-A Diarylmethylenes ORTHO PHARMACEUTICAL CORPORATION (US) 1976-02-03 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 (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-20240391871-A1 SUBSTITUTED HYDROXYMETHYL PYRROLIDINES AND MEDICAL USES THEREOF CYP3A5, PRMT5, CYP11B2 IDO1 1705/4885CA12 3429/4885CA1 3945/4885

“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.