SCHEMBL42466

SCHEMBL42466

CC(C)N(C([O])=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX7 Q99572 1/20 0.32
TP53 P04637 1/20 0.32
BCHE P06276 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5932574 0.76 TP53 (0.37) TP53ALDH1A1
SCHEMBL8439081 0.74 P2RX4 (0.33) P2RX4P2RX1P2RX3P2RX7TP53
SCHEMBL10871210 0.74 P2RX4 (0.33) P2RX4P2RX1P2RX3P2RX7TP53
SCHEMBL4719320 0.73
SCHEMBL673948 0.73 CA1 (0.33) P2RX4P2RX1P2RX3P2RX7
SCHEMBL10824794 0.73 CHRNB2 (0.38) P2RX4P2RX1P2RX3P2RX7ALDH1A1
SCHEMBL10824792 0.73 CHRNB2 (0.38) P2RX4P2RX1P2RX3P2RX7ALDH1A1
SCHEMBL82497 0.71 TSHR (0.33) P2RX4P2RX1P2RX3P2RX7TP53
SCHEMBL42467 0.71 TP53 (0.39) P2RX4P2RX1P2RX3P2RX7TP53
SCHEMBL2334377 0.69 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238883-B1 OXABICYCLOHEPTANE DERIVATIVES, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1990-05-09 EP claimed
US-4713453-A TREATMENT OF BRAIN DISORDERS Suntori Limited (JP) 1987-12-15 US claimed
EP-0238883-A1 Oxabicycloheptane derivatives, pharmaceutical composition and use SUNTORY LIMITED (JP) 1987-09-30 EP claimed
US-11160785-B2 Methods and compositions for improving cognitive function AGENEBIO INC. (US) 2021-11-02 US disclosed
EP-2939675-B1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2019-09-04 EP disclosed
US-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-12-11 US disclosed
US-20180015109-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2018-01-18 US disclosed
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-01-04 US disclosed
US-20160271108-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION AGENEBIO, INC. 2016-09-22 US disclosed
EP-2533645-B1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION UNIV JOHNS HOPKINS (US) 2016-07-27 EP disclosed
EP-2968220-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION Agenebio, Inc. (US) 2016-01-20 EP disclosed
US-5143936-A Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
EP-0443883-A1 Carbapenem derivatives having antibiotic activity, their preparation and their use Sankyo Company Limited (JP) 1991-08-28 EP disclosed
WO-1991009017-A1 QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-27 WO disclosed
US-5021432-A Hypotensive agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-06-04 US disclosed
EP-0381974-A2 Thiophene azo dyes with a coupling component based on m-phenylene diamine BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed
EP-0238883-B1 OXABICYCLOHEPTANE DERIVATIVES, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1990-05-09 EP disclosed
US-4894385-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1990-01-16 US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 EP disclosed
EP-0188383-A2 Imidazole derivatives, their preparation and therapeutic use SANKYO COMPANY LIMITED (JP) 1986-07-23 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-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SLCO1B3, SLC22A8, SLCO4C1 P2RX4 667/4885P2RX1 983/4885P2RX3 317/4885
US-20160271108-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE2, BACE1, GRIN2A P2RX4 4414/4885P2RX1 4175/4885P2RX3 4293/4885
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 P2RX4 667/4885P2RX1 983/4885P2RX3 317/4885
US-11160785-B2 Methods and compositions for improving cognitive function BACE2, BACE1, GRIN2A P2RX4 4414/4885P2RX1 4175/4885P2RX3 4293/4885
US-20180015109-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE P2RX4 4229/4885P2RX1 4240/4885P2RX3 4295/4885

“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.