SCHEMBL6230571

SCHEMBL6230571

FC(F)(F)c1cc(COC2CCCNC2c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 1.00
TP53 P04637 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
TSHR P16473 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
MAPT P10636 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
THPO P40225 1/20 1.00
HSD17B10 Q99714 1/20 1.00
GMNN O75496 1/20 0.98
LMNA P02545 1/20 0.98
PMP22 Q01453 1/20 0.98
SMN1; SMN2 Q16637 1/20 0.98
NPSR1 Q6W5P4 1/20 0.98

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
SCHEMBL1282817 1.00 TACR1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9024421 1.00 TACR1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8539276 1.00 TACR1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL2987770 1.00 TACR1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9025699 1.00 TACR1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9025317 0.99 MEN1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4297874 0.99 MEN1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9025323 0.99 MEN1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8537738 0.99 MEN1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8537737 0.99 MEN1 (1.00) TACR1TP53CYP1A2CYP3A4CYP2D6

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054620-A1 Use of Non-Peptidic NK1 Receptor Antagonists for the Production of Apoptosis in Tumour Cells NK-1 IP LIMITED (GB) 2020-02-20 US claimed
EP-1803456-B1 Pharmaceutical compositions comprising L-733060 for use in the treatment of cancer tumours ANTAGONISTA ENEKAUNO S L (ES) 2014-11-26 EP claimed
EP-1515708-A1 COMBINATIONS OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION Pfizer Products Inc. (US) 2005-03-23 EP claimed
CN-1468111-A Pharmaceutical composition for the treatment of acute, chronic pain and/or neuropathic pain and migraine �Ʒ� 2004-01-14 CN claimed
US-20040001895-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-01 US claimed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO claimed
US-20030133951-A1 Pharmaceutical composition for treatment of acute, chronic pain and/or neuropathic pain and migraines PFIZER INC. 2003-07-17 US claimed
US-20020049211-A1 Combination treatment for depression and anxiety SOBOLOV-JAYNES SUSAN BETH (US) 2002-04-25 US claimed
EP-1186318-A2 Combination, for treating depression and anxiety, containing a 5HT1d receptor antagonist and aCNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-03-13 EP claimed
US-20010036943-A1 Pharmaceutical composition for treatment of acute, chronic pain and/or neuropathic pain and migraines PFIZER PRODUCTS INC. 2001-11-01 US claimed
EP-0600952-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME (GB) 1996-04-17 EP claimed
EP-0600952-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. MERCK SHARP & DOHME (GB) 1994-06-15 EP claimed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO claimed
EP-0528495-A1 Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them MERCK SHARP & DOHME LTD. (GB) 1993-02-24 EP claimed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP disclosed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO disclosed
US-6949257-B2 Pharmaceutical compositions NOVARTIS AG (CH) 2005-09-27 US disclosed
WO-1993021181-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1993-10-28 WO disclosed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO disclosed
EP-0528495-A1 Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them MERCK SHARP & DOHME LTD. (GB) 1993-02-24 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 (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-20040001895-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885TP53 4613/4885CYP1A2 1615/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A TACR1 5/4885TP53 4692/4885CYP1A2 1212/4885

“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.