SCHEMBL6074341

SCHEMBL6074341

NC1CCCNC1c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
TACR1 P25103 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
PRCP P42785 1/20 0.36
ATM Q13315 1/20 0.35
LTA4H P09960 1/20 0.35
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL7485890 1.00 KDM1A (0.46) KDM1ATACR1TDP1PRCPATM
SCHEMBL7029317 1.00 KDM1A (0.46) KDM1ATACR1TDP1PRCPATM
SCHEMBL7557471 1.00 KDM1A (0.46) KDM1ATACR1TDP1PRCPATM
SCHEMBL6669116 0.82 MAPT (0.40) KDM1APRCPATMNPSR1CYP1A2
SCHEMBL6669110 0.82 MAPT (0.40) KDM1APRCPATMNPSR1CYP1A2
SCHEMBL6669105 0.82 MAPT (0.40) KDM1APRCPATMNPSR1CYP1A2
SCHEMBL6098075 0.82 HTR3A (0.49) TACR1PRCPLTA4HSLC6A2SLC6A4
SCHEMBL6098068 0.82 HTR3A (0.49) TACR1PRCPLTA4HSLC6A2SLC6A4
SCHEMBL7076362 0.82 HTR3A (0.49) TACR1PRCPLTA4HSLC6A2SLC6A4
SCHEMBL6097576 0.82 HTR3A (0.49) TACR1PRCPLTA4HSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-0783499-B1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2002-10-23 EP disclosed
US-20020052504-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS ELLIOTT MATTHEW JASON (GB) 2002-05-02 US disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO disclosed
US-6214846-B1 TREATING INFLAMMATION, MIGRAINE, EMESIS, POSTHERPETIC NEURALGIA, DEPRESSION OR ANXIETY MERCK SHARP & DOHME LIMITED 2001-04-10 US disclosed
EP-0991622-A1 SUBSTITUTED 3-(BENZYLAMINO)PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2000-04-12 EP disclosed
US-5935972-A Benzofuran derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 1999-08-10 US disclosed
US-5919803-A TACHYKININ ANTAGONIST GLAXO GROUP LIMITED (GB) 1999-07-06 US disclosed
WO-1999000368-A1 SUBSTITUTED 3-(BENZYLAMINO)PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1999-01-07 WO disclosed
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
EP-0815104-A1 3-BENZYLAMINO-2-PHENYLPIPERIDINES AS NEUROKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1998-01-07 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed
WO-1996029326-A1 3-BENZYLAMINO-2-PHENYLPIPERIDINES AS NEUROKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1996-09-26 WO disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 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 (2 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-20020052504-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS HTR1D, HTR1A, TRPV1 KDM1A 1030/4885TACR1 46/4885TDP1 2687/4885
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 KDM1A 621/4885TACR1 1/4885TDP1 2921/4885

“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.