SCHEMBL8200796

SCHEMBL8200796

Clc1cccc(N2CCOCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 3/20 0.64
▸ HTR3B O95264 3/20 0.64
▸ HTR3A P46098 3/20 0.64
▸ HTR3D Q70Z44 3/20 0.64
▸ HTR3C Q8WXA8 3/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ KMT2A Q03164 3/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ MAPT P10636 1/20 0.51
▸ GAA P10253 2/20 0.51
▸ HTT P42858 1/20 0.47
▸ CNR2 P34972 5/20 0.47
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL30818941 1.00 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6843345 0.86 GAA (0.59) ALDH1A1KMT2ACYP1A2CYP2D6MEN1
SCHEMBL16334097 0.82 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1810974 0.82 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16333725 0.81 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27643869 0.79 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26220995 0.79 HTR3A (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22334883 0.79 GAA (0.53) ALDH1A1ALOX15TSHRMAPTGAA
SCHEMBL21154003 0.79 KMT2A (0.51) HTR3AALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL2371248 0.78 GAA (0.51) ALDH1A1TSHRMAPTGAAHTT

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-20230265086-A1 TRI-SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF PI3-KINASE AND AUTOPHAGY PATHWAYS NEUROPORE THERAPIES, INC. (US) 2023-08-24 — — US disclosed
EP-3565810-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2019-11-13 — — EP disclosed
WO-2018127801-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-07-12 — — WO disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 — — EP disclosed
CN-102516165-A Substituted pyridine derivatives LUNDBECK & CO AS H 2012-06-27 — — CN disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 — — US disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 — — WO disclosed
EP-0334146-A1 Morpholines and morpholine-N-oxides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1989-09-27 — — 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 HTR3E 3680/4885HTR3B 2491/4885HTR3A 2931/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA HTR3E 4234/4885HTR3B 4124/4885HTR3A 4110/4885
US-20230265086-A1 TRI-SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF PI3-KINASE AND AUTOPHAGY PATHWAYS ATG7, ULK1, BECN1 HTR3E 755/4885HTR3B 694/4885HTR3A 949/4885

“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.

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