SCHEMBL5739149

SCHEMBL5739149

FC(F)(F)c1cccc(N2CCOCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
SIGMAR1 Q99720 2/20 0.66
HTR3E A5X5Y0 1/20 0.66
HTR3B O95264 1/20 0.66
HTR1D P28221 1/20 0.66
HTR2C P28335 1/20 0.66
HTR3A P46098 1/20 0.66
HTR3D Q70Z44 1/20 0.66
HTR3C Q8WXA8 1/20 0.66
MAPT P10636 2/20 0.64
THRB P10828 1/20 0.64
KDM4E B2RXH2 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL28226906 0.87 ALDH1A1 (0.77) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL12706910 0.84 ALDH1A1 (0.72) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL23841128 0.83 AGXT (0.50) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL4402783 0.83 LMNA (0.53) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL6257153 0.82 ALDH1A1 (0.70) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL30628288 0.82 KMO (0.58) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL17420730 0.82 KMO (0.58) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL27329825 0.81 LMNA (0.71) ALDH1A1MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL10515108 0.81 MAPT (0.71) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL4069047 0.81 ALDH1A1 (0.68) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846676-B1 Process for the preparation of aromatic amines from aryl chlorides AXIVA GMBH (DE) 2001-02-07 EP claimed
WO-2021096496-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-05-20 WO disclosed
CN-112262128-A Method for forming aryl carbon-nitrogen bond by illumination and photoreactor for carrying out the reaction 科罗拉多州立大学研究基金会 2021-01-22 CN disclosed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US disclosed
CN-105358556-B New compound for selective histone deacetylase inhibitor and the pharmaceutical composition comprising it 株式会社钟根堂 2018-01-02 CN disclosed
EP-1697353-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC. 2005-10-13 US disclosed
US-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC 2005-10-13 US disclosed
WO-2005061491-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed
EP-0846676-B1 Process for the preparation of aromatic amines from aryl chlorides AXIVA GMBH (DE) 2001-02-07 EP disclosed
US-5831128-A Synthesis of aromatic amines from chloroamatics HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0846676-A1 Process for the preparation of aromatic amines from aryl chlorides HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-10 EP 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 (3 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-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 ALDH1A1 1132/4885SIGMAR1 504/4885HTR3E 1665/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 ALDH1A1 1132/4885SIGMAR1 504/4885HTR3E 1665/4885
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS TYR, CRY2, CRY1 ALDH1A1 1574/4885SIGMAR1 1724/4885HTR3E 2077/4885

“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.