SCHEMBL2299320

SCHEMBL2299320

Cc1sc(C2CCNCC2)nc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PLAT P00750 2/20 0.48
HPGDS O60760 1/20 0.46
CHRNA7 P36544 1/20 0.45
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
AR P10275 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2C P28335 1/20 0.41
NSD3 Q9BZ95 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 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
Bromide SCHEMBL2980010 0.99 MEN1 (0.51) MEN1KMT2APLATHPGDSCHRNA7
SCHEMBL19399117 0.89 CHRNA7 (0.50) MEN1KMT2ACHRNA7MAOAMAOB
Trifluoroacetic Acid SCHEMBL17766749 0.89 PLAT (0.44) MEN1KMT2APLATHPGDSCHRNA7
SCHEMBL4261351 0.86 MEN1 (0.43) MEN1KMT2APLATGABRA1GABRB2
SCHEMBL2299776 0.85 CHRNA7 (0.47) MEN1KMT2ACHRNA7MAOAMAOB
Bromide SCHEMBL2987429 0.85 MEN1 (0.43) MEN1KMT2APLATGABRA1GABRB2
SCHEMBL13158408 0.84 MEN1 (0.54) MEN1KMT2AHPGDSGABRA1GABRB2
Hydrochloric Acid SCHEMBL3104691 0.82 MEN1 (0.52) MEN1KMT2AHPGDSGABRA1GABRB2
SCHEMBL28750361 0.79 SLC6A4 (0.50) MEN1KMT2AHTR2CNPC1RAB9A
SCHEMBL3658790 0.79 MEN1 (0.52) MEN1KMT2APLATHPGDSGABRA1

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
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
WO-2015005305-A1 ALXR AGONIST COMPOUND 小野薬品工業株式会社 (JP) 2015-01-15 WO 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
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
CN-101243078-A Thiazolyl piperidine derivatives useful as h3 receptor modulators HOFFMANN LA ROCHE (CH) 2008-08-13 CN 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I MEN1 3476/4885KMT2A 1099/4885PLAT 4543/4885
US-20160145249-A1 ALXR AGONIST COMPOUND MRGPRX2, MRGPRX1, MRGPRX4 MEN1 4744/4885KMT2A 2119/4885PLAT 2259/4885

“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.