SCHEMBL220303

SCHEMBL220303

FC(F)(F)c1cccc(N2CC[N]CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
SIGMAR1 Q99720 3/20 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 4/20 0.64
THRB P10828 1/20 0.64
TSHR P16473 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
DHFR P00374 1/20 0.53
LMNA P02545 3/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 3/20 0.52
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL3124652 0.87 ALDH1A1 (0.56) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL28226906 0.87 ALDH1A1 (0.77) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL12706910 0.84 ALDH1A1 (0.72) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL9579248 0.83 ALDH1A1 (0.45) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL3722272 0.83 ALDH1A1 (0.45) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL6257153 0.82 ALDH1A1 (0.70) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL4069047 0.81 ALDH1A1 (0.68) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
Hydrochloric Acid SCHEMBL10515108 0.81 MAPT (0.71) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL11874981 0.80 ALDH1A1 (0.68) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL5739149 0.79 ALDH1A1 (0.66) 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 206 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP claimed
EP-1601674-B1 Hydroxyalkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2012-08-08 EP claimed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP claimed
JP-4712384-B2 2011-06-29 JP claimed
JP-4699373-B2 2011-06-08 JP claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
CN-100402529-C Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2008-07-16 CN claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
EP-1865963-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR Acadia Pharmaceuticals Inc. (US) 2007-12-19 EP claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
EP-1218384-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP claimed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO claimed
EP-1019367-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-07-19 EP claimed
WO-1999007672-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-02-18 WO claimed
US-4886805-A Novel aminoalkylthio derivatives of triazolopyridine or triazoloquinoline, the processes for their preparation, and drugs, useful especially as analgesics, in which they are present Centre D'Activite Et De Recherches Pharmaceutique Industrielle Biologique Medicale (FR) 1989-12-12 US claimed
EP-0254623-A1 Aminoalkylthio triazolopyridine or triazoloquinoline derivatives, process for their preparation, medicaments containing them, particularly useful as antalgics LABORATOIRES UPSA (FR) 1988-01-27 EP claimed
EP-0110781-B1 SUBSTITUTED (AMINO-2-ETHYL)-6-BENZOXAZOLINONES, THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM RIOM LABORATOIRES- C.E.R.M. (Société Anonyme) (FR) 1987-04-01 EP claimed
US-4569994-A Dibenzo[b,d]pyranyloxyaminopropanols PENNWALT CORPORATION 1986-02-11 US claimed
US-4203986-A TRANQUILIZERS, SEDATIVES, ANTITUSSIVE AGNETS METABIO-JOULLIE (FR) 1980-05-20 US 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 (1 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-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 ALDH1A1 1159/4885SIGMAR1 4592/4885HTR3E 4713/4885

“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.