SCHEMBL6982003

SCHEMBL6982003

c1ccc(C2OCCO2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 6/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TP53 P04637 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
Iodomethane SCHEMBL11687901 0.94 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL16931663 0.92 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL31111388 0.77 HRH3 (0.43) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL30054008 0.76 KDM4E (0.44) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL29240535 0.76
SCHEMBL30316733 0.76
SCHEMBL531613 0.76
SCHEMBL6488261 0.76
SCHEMBL9065034 0.75 HRH3 (0.38) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL12533533 0.74 TSHR (0.43) ALDH1A1MAPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174663-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-05-30 US disclosed
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 CN disclosed
EP-4301751-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS King's College London (GB) 2024-01-10 EP disclosed
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2024-01-04 US disclosed
US-11780861-B2 Phosphine reagents for azine fluoroalkylation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-10-10 US disclosed
US-20220380394-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-12-01 US disclosed
WO-2022185057-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2022-09-09 WO disclosed
WO-2022087129-A9 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-05-27 WO disclosed
CN-111526890-A Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2020-08-11 CN disclosed
WO-2015191636-A2 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE (US) 2015-12-17 WO disclosed
US-5455248-A Treatment or prevention of neurodegenerative disorders or neurotoxic injuries; binding to PCP receptors STERLING WINTHROP INC. (US) 1995-10-03 US disclosed
US-5434159-A Neurodegenerative disorders STERLING WINTHROP INC. (US) 1995-07-18 US disclosed
US-5430036-A Neurodegenerative disorders, neurotoxic injuries STERLING WINTHROP INC. (US) 1995-07-04 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
EP-0648769-A1 12-Hetero-substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1995-04-19 EP disclosed
US-5380729-A Treatment or prevention of neurodegenerative disorders or neurotoxic injuries STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
US-5196433-A 3-SUBSTITUTED PYRIDINEMETHANOLS AND FUNGICIDES CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed
EP-0525346-A1 3-Substituted pyridine methanols and fungicides containing them BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed
US-4948912-A HALOACETOXYALKYL ETHER SOUTHWEST RESEARCH INSTITUTE (US) 1990-08-14 US disclosed
US-4029800-A 2-(4-PYRIDYL)-1,3-DIOXOLANE METHIODIDE OR 2-(1-METHYL-4-PIPERIDYL)-1,3-DIOXOLANE HYDROIODIDE BRISTOL-MYERS COMPANY (US) 1977-06-14 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 (4 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-20220380394-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION PTPN3, PHOSPHO1, SKIC3 ALDH1A1 4415/4885MAPT 3703/4885NPC1 3349/4885
US-20240174663-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 ALDH1A1 1933/4885MAPT 3684/4885NPC1 2150/4885
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION PTPN3, PHOSPHO1, SKIC3 ALDH1A1 4415/4885MAPT 3703/4885NPC1 3349/4885
US-11780861-B2 Phosphine reagents for azine fluoroalkylation PTPN3, PHOSPHO1, SKIC3 ALDH1A1 4415/4885MAPT 3703/4885NPC1 3349/4885

“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.