SCHEMBL2299359

SCHEMBL2299359

c1ccc(OCC2CNC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 1/20 0.50
LTA4H P09960 1/20 0.47
HTR3A P46098 1/20 0.45
KCNH2 Q12809 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 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
SCHEMBL35429 0.85 SLC6A2 (0.69) TDP1SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL27972144 0.85 SLC6A2 (0.69) TDP1SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL14255991 0.84 SLC6A2 (0.42) TDP1SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL14255987 0.84 LTA4H (0.43) TDP1SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL3444195 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL2267290 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL14255986 0.82 SLC6A2 (0.40) TDP1SLC6A2SLC6A4SLC6A3LTA4H
Hydrochloric Acid SCHEMBL9555741 0.81 SLC6A2 (0.56) TDP1SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL1990800 0.80 TDP1 (0.57) TDP1CARM1PRMT6
SCHEMBL25379677 0.80 SLC6A4 (0.44) TDP1SLC6A2SLC6A4SLC6A3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 TDP1 1730/4885SLC6A2 1121/4885SLC6A4 294/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I TDP1 2812/4885SLC6A2 475/4885SLC6A4 502/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B TDP1 2245/4885SLC6A2 641/4885SLC6A4 743/4885

“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.