SCHEMBL2296643

SCHEMBL2296643

COc1ccc(OCC2CNC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 1/20 0.44
PKM P14618 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM1A O60341 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 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
SCHEMBL21618371 0.85 TDP1 (0.49) TDP1SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL3443378 0.83 TDP1 (0.65) TDP1SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL2298975 0.82 CHRNB4 (0.52) TDP1SLC6A2SLC6A4SLC6A3CHRNB4
SCHEMBL16838742 0.82 TDP1 (0.73) TDP1PKMCA12CA1CA2
SCHEMBL15301000 0.81 TDP1 (0.45) TDP1SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL2298790 0.81 LTA4H (0.46) TDP1SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL29303910 0.80 TP53 (0.46) TDP1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2299359 0.80 TDP1 (0.52) TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL2240382 0.79 SLC6A2 (0.61) TDP1SLC6A2SLC6A4SLC6A3KDM1A
Hydrochloric Acid SCHEMBL27037587 0.79 TDP1 (0.47) TDP1SLC6A2SLC6A4SLC6A3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I TDP1 2812/4885SLC6A2 475/4885SLC6A4 502/4885

“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.