SCHEMBL447236

SCHEMBL447236

CC[CH]N1CCN(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.32
MC4R P32245 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
SIGMAR1 Q99720 2/20 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
SCHEMBL6784924 0.91 SIGMAR1 (0.35) ALDH1A1HTR1ASIGMAR1
SCHEMBL1448833 0.88
SCHEMBL1448179 0.79 SIGMAR1 (0.33) ALDH1A1HTR1AMC4RPHGDHMGLL
SCHEMBL11715 0.77
SCHEMBL1448212 0.77
SCHEMBL3451887 0.76 CHRNA7 (0.40) ALDH1A1
SCHEMBL450230 0.74
SCHEMBL1448231 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11436016 0.74 ALDH1A1 (0.43) ALDH1A1HTR1ASIGMAR1
SCHEMBL3451791 0.72 HRH3 (0.34) ALDH1A1

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 252 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
EP-4003988-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2022-06-01 EP claimed
EP-3421457-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2021-10-06 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
US-10912774-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-02-09 US claimed
WO-2021018857-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2021-02-04 WO 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
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US claimed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US 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
EP-1055683-A1 NOVEL ACETAMIDE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-29 EP 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 (7 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-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF ALDH1A1 510/4885HTR1A 3734/4885MC4R 2744/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALDH1A1 261/4885HTR1A 794/4885MC4R 2394/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885HTR1A 807/4885MC4R 902/4885
US-10912774-B2 Pyrimidine FGFR4 inhibitors FGFR4, FGFR1, FGFR3 ALDH1A1 1012/4885HTR1A 3781/4885MC4R 1407/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALDH1A1 192/4885HTR1A 822/4885MC4R 1372/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885HTR1A 807/4885MC4R 902/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALDH1A1 192/4885HTR1A 822/4885MC4R 1372/4885

“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.