SCHEMBL1134898

SCHEMBL1134898

[CH2]CC(C)N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A4 P31645 7/20 0.32
SLC6A2 P23975 6/20 0.32
CYP2D6 P10635 2/20 0.32
KCNH2 Q12809 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
HTR7 P34969 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL27629556 0.82 SLC6A4 (0.32) MEN1KMT2ACHRM5CHRM3SLC6A4
SCHEMBL13419180 0.78 KDM4E (0.37) MEN1KMT2ACHRM5CHRM3SLC6A4
SCHEMBL2551138 0.78 KDM4E (0.37) MEN1KMT2ACHRM5CHRM3SLC6A4
SCHEMBL3534793 0.78 KDM4E (0.37) MEN1KMT2ACHRM5CHRM3SLC6A4
SCHEMBL10379099 0.77
Ammonia Solution, Strong SCHEMBL10987919 0.76 KDM4E (0.36) MEN1KMT2ACHRM5CHRM3SLC6A4
SCHEMBL20569862 0.76 HRH3 (0.37) MEN1KMT2ACHRM5CHRM3SLC6A4
SCHEMBL10305702 0.76 MEN1 (0.33) MEN1KMT2ACHRM5CHRM3SLC6A4
SCHEMBL5197504 0.76 MEN1 (0.33) MEN1KMT2ACHRM5CHRM3SLC6A4
SCHEMBL15471 0.76 HRH3 (0.37) MEN1KMT2ACHRM5CHRM3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750894-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2024-04-03 EP claimed
EP-3590941-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP claimed
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 EP claimed
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-04-20 US claimed
CN-111788207-B Dioxane quinoline compound and preparation method and application thereof 北京赛特明强医药科技有限公司 2021-03-23 CN claimed
CN-111757885-B Urea-substituted aromatic ring-connected dioxane quinoline compound and preparation method and application thereof 北京赛特明强医药科技有限公司 2021-01-29 CN claimed
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2020-12-24 US claimed
US-20200399284-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2020-12-24 US claimed
EP-3750893-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP claimed
EP-3750894-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP claimed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO claimed
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 WO claimed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP claimed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US claimed
CN-1418112-A Peptidase cleavable, targeted antineoplastic agents and therapeutic uses thereof BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-14 CN claimed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US claimed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO claimed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20200399284-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF RET, BRAF, RAF1 MEN1 3338/4885KMT2A 754/4885CHRM5 3583/4885
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF MEN1 3672/4885KMT2A 1657/4885CHRM5 4394/4885
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF KDR, MET, ABL1 MEN1 360/4885KMT2A 335/4885CHRM5 2085/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MEN1 2237/4885KMT2A 1457/4885CHRM5 2342/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MEN1 664/4885KMT2A 1259/4885CHRM5 1184/4885

“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.