SCHEMBL2298133

SCHEMBL2298133

Cc1cccc(N2CC[N]CC2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.68
HTR3B O95264 3/20 0.68
HTR3A P46098 3/20 0.68
HTR3D Q70Z44 3/20 0.68
HTR3C Q8WXA8 3/20 0.68
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
KCNH2 Q12809 2/20 0.50
RECQL P46063 1/20 0.49
ALOX5 P09917 2/20 0.47
DRD4 P21917 1/20 0.46
OGA O60502 1/20 0.44
GRIN2B Q13224 3/20 0.43
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4553876 0.84 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1515249 0.84 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31415224 0.84 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6467644 0.82 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
Ammonia Solution, Strong SCHEMBL28500104 0.82 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
Ammonia Solution, Strong SCHEMBL28466868 0.82 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2127461 0.81 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Ammonia Solution, Strong SCHEMBL28472249 0.79 HTR3A (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1515189 0.79 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL75430 0.79 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
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
EP-2465504-A1 Novel 2,3-diamino-quinazolinone derivatives and their medical use NeuroSearch A/S (DK) 2012-06-20 EP disclosed
US-8178544-B2 2, 3-diamino-quinazolinone derivatives and their medical use NEUROSEARCH A/S (DK) 2012-05-15 US disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEURO SEARCH A/S (DK) 2010-06-24 US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
EP-2152272-A2 NOVEL 2,3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2010-02-17 EP disclosed
WO-2008142140-A2 NOVEL 2,3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-11-27 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 (2 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-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE KCNJ2, KCNN3, KCNK17 HTR3E 462/4885HTR3B 357/4885HTR3A 557/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I HTR3E 679/4885HTR3B 528/4885HTR3A 945/4885

“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.