SCHEMBL573579

SCHEMBL573579

Brc1cnc(N2CCNCC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TAAR1 Q96RJ0 1/20 0.53
CHRNB2 P17787 6/20 0.50
CHRNA4 P43681 6/20 0.50
HRH1 P35367 1/20 0.47
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTT P42858 1/20 0.41
NCF1 P14598 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
Hydrochloric Acid SCHEMBL16652554 0.98 KDM4E (0.62) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL3188491 0.93 CHRNB2 (0.55) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL1433020 0.80 ALDH1A1 (0.47) KDM4EALDH1A1HRH1SMN1; SMN2TSHR
SCHEMBL3323407 0.80 KDM4E (0.43) KDM4EALDH1A1CHRNB2CHRNA4USP2
SCHEMBL25255051 0.79 ALDH1A1 (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL7991455 0.79 ALDH1A1 (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL2274356 0.79 ALDH1A1 (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL5102919 0.79 ALDH1A1 (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL4476809 0.79 KDM4E (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4
SCHEMBL3668289 0.79 ALDH1A1 (0.59) KDM4EALDH1A1TAAR1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303497-A1 DEUTERATED 5-HT1A RECEPTOR AGONISTS CONRIG PHARMA APS (DK) 2013-11-14 US claimed
EP-2601187-A1 DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS Conrig Pharma ApS (DK) 2013-06-12 EP claimed
WO-2012016569-A1 DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS CONRIG PHARMA APS (DK) 2012-02-09 WO claimed
EP-4551570-A1 NOVEL COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Dong-A ST Co., Ltd. (KR) 2025-05-14 EP disclosed
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof DONG-A ST CO., LTD. (KR) 2025-03-04 US disclosed
CN-119403798-A Novel compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof 东亚ST 株式会社 2025-02-07 CN disclosed
WO-2024222726-A1 DEGRADATION AGENT FOR CYCLIN-DEPENDENT KINASE (CDK) 12/13, COMPOSITION AND USE THEREOF 浙江大学 2024-10-31 WO disclosed
CN-118440054-A Degradation agent, composition and application of cyclin-dependent kinase 12/13 浙江大学 2024-08-06 CN disclosed
US-20240246961-A1 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2024-07-25 US disclosed
US-11970493-B2 Autotaxin inhibitor compounds ILDONG PHARMACEUTICAL CO., LTD. (KR) 2024-04-30 US disclosed
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US disclosed
WO-2003014092-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 WO disclosed
WO-2002046151-A1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-06-13 WO disclosed
US-20020037900-A1 Hydroxamic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-03-28 US disclosed
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US disclosed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 EP disclosed
EP-0200968-B1 SUCCINIMIDE DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-08-29 EP disclosed
US-4843078-A ANXIOLYTIC AGENTS SUMITONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-06-27 US disclosed
EP-0200968-A1 Succinimide derivatives, their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-11-12 EP disclosed
US-4605655-A NEUROLEPTIC AGENTS; NO MOVEMENT DISORDER SIDE EFFECTS BRISTOL-MYERS COMPANY (US) 1986-08-12 US 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 (6 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-20130303497-A1 DEUTERATED 5-HT1A RECEPTOR AGONISTS HTR1A, HTR1D, HTR5A KDM4E 3259/4885ALDH1A1 620/4885TAAR1 44/4885
US-20240246961-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, ATXN10, ATXN2L KDM4E 1416/4885ALDH1A1 4721/4885TAAR1 3421/4885
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof EIF2AK4, GCN1, GCGR KDM4E 4591/4885ALDH1A1 3927/4885TAAR1 4543/4885
US-20020037900-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 KDM4E 2214/4885ALDH1A1 644/4885TAAR1 3804/4885
US-11970493-B2 Autotaxin inhibitor compounds ENPP2, ATXN10, ATXN2L KDM4E 1416/4885ALDH1A1 4721/4885TAAR1 3421/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR KDM4E 4591/4885ALDH1A1 3927/4885TAAR1 4543/4885

“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.