SCHEMBL3023938

SCHEMBL3023938

CNCCc1c[nH]c(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
KCNH2 Q12809 5/20 0.52
SCN2A Q99250 2/20 0.45
CXCR2 P25025 1/20 0.45
PIN1 Q13526 1/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
STAT6 P42226 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL31093434 1.00 CTSK (0.52) CTSKKCNH2SCN2ACXCR2PIN1
SCHEMBL29008490 0.86 CTSK (0.57) CTSKKCNH2SCN2ACXCR2PIN1
SCHEMBL3012997 0.83 HRH1 (0.60) CTSKSCN2ACXCR2PIN1HRH1
SCHEMBL27642887 0.74 SCN2A (0.51) SCN2ACXCR2PIN1HRH1HRH4
SCHEMBL26467068 0.70 IDO1 (0.49) CTSKSCN2ACXCR2PIN1HRH1
SCHEMBL31659840 0.70 IDO1 (0.49) CTSKSCN2ACXCR2PIN1HRH1
SCHEMBL7192429 0.70 KIF11 (0.44) CTSKCXCR2PIN1CTSS
SCHEMBL7667716 0.70 MEN1 (0.55) PIN1CYP1A2KDM4EMEN1ALDH1A1
SCHEMBL2562756 0.69 SCN2A (0.47) SCN2ACXCR2PIN1HRH1HRH4
SCHEMBL3834391 0.69 TAAR1 (0.47) CXCR2

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-4673146-A2 METHODS FOR TREATING OBSESSIVE COMPULSIVE RELATED DISORDERS, TIC DISORDERS AND GLUTAMATE EXCITOTOXICITY RELATED DISORDERS Biohaven Therapeutics Ltd. (VG) 2026-01-07 EP claimed
WO-2024182465-A2 METHODS FOR TREATING OBSESSIVE COMPULSIVE RELATED DISORDERS, TIC DISORDERS AND GLUTAMATE EXCITOTOXICITY RELATED DISORDERS ALCO THERAPEUTICS, LLC (US) 2024-09-06 WO claimed
US-20100204205-A1 TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE AGENT BY USING THEM IN COMBINATION OBECURE LTD. (IL) 2010-08-12 US claimed
US-20100160294-A1 TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION CYPRESS BIOSCIENCES, INC. 2010-06-24 US claimed
EP-2167096-A1 IMPROVING THE TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION Cypress Bioscience, Inc. (US) 2010-03-31 EP claimed
US-20090275562-A1 TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION CYPRESS BIOSCIENCES, INC. (US) 2009-11-05 US claimed
WO-2008157094-A1 IMPROVING THE TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION CYPRESS BIOSCIENCE, INC. (US) 2008-12-24 WO claimed
US-20100204205-A1 TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE AGENT BY USING THEM IN COMBINATION OBECURE LTD. (IL) 2010-08-12 US disclosed
US-20100160294-A1 TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION CYPRESS BIOSCIENCES, INC. 2010-06-24 US disclosed
EP-2167096-A1 IMPROVING THE TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION Cypress Bioscience, Inc. (US) 2010-03-31 EP disclosed
US-20090275562-A1 TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION CYPRESS BIOSCIENCES, INC. (US) 2009-11-05 US disclosed
US-20090156581-A1 Aminergic pharmaceutical compositions and methods BOARD OF TRUSTREES OF MICHIGAN STATE UNIVERSITY (US) 2009-06-18 US disclosed
WO-2008157094-A1 IMPROVING THE TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION CYPRESS BIOSCIENCE, INC. (US) 2008-12-24 WO disclosed
EP-1885708-A2 GPCR MODULATORS Board of Trustees of Michigan State University (US) 2008-02-13 EP disclosed
WO-2006113557-A2 GPCR MODULATORS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-10-26 WO 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-20090275562-A1 TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION HTR2A, HTR2C, HTR3A CTSK 1826/4885KCNH2 795/4885SCN2A 193/4885
US-20100160294-A1 TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE BY USING THEM IN COMBINATION HTR2A, HTR3A, HTR2C CTSK 2038/4885KCNH2 875/4885SCN2A 206/4885
US-20100204205-A1 TOLERABILITY OF MIRTAZAPINE AND A SECOND ACTIVE AGENT BY USING THEM IN COMBINATION HTR2A, HTR3A, HTR2C CTSK 889/4885KCNH2 824/4885SCN2A 325/4885

“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.