SCHEMBL3409778

SCHEMBL3409778

FC(F)(F)c1cccnc1C1CNCCN1c1ncccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.58
▸ HTR2C P28335 11/20 0.47
▸ HTR2B P41595 10/20 0.47
▸ HTR2A P28223 9/20 0.47
▸ HSD11B1 P28845 4/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL4630341 0.79 EPHX2 (0.47) EPHX2HTR2CHTR2BHTR2ATRPV1
SCHEMBL2702455 0.79 EPHX2 (0.56) EPHX2HTR2CHTR2BHTR2AHSD11B1
SCHEMBL27831828 0.77 EPHX2 (0.45) EPHX2HTR2CHTR2BHTR2AHSD11B1
SCHEMBL20555976 0.76 EPHX2 (0.53) EPHX2HTR2CHTR2BHTR2AHSD11B1
SCHEMBL233710 0.74 EPHX2 (1.00) EPHX2HSD11B1MAPTTSHRHTT
SCHEMBL20555977 0.74 EPHX2 (0.44) EPHX2HTR2CHTR2BHTR2ATRPV1
Piperazine SCHEMBL5324447 0.73 EPHX2 (0.97) EPHX2HSD11B1MAPTTSHRHTT
Hydrochloric Acid SCHEMBL10319192 0.73 EPHX2 (0.97) EPHX2HSD11B1MAPTTSHRHTT
SCHEMBL5356587 0.69 EPHX2 (0.89) EPHX2HSD11B1MAPTTSHRHTT
SCHEMBL31245014 0.69 HTR2C (0.50) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 — — EP disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 — — US disclosed
US-7229997-B2 Compounds and their use BIOVITRUM AB (SE) 2007-06-12 — — US disclosed
EP-1506185-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF 5-HT BIOVITRUM AB (SE) 2006-05-24 — — EP disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 — — US disclosed
US-20030232814-A1 Novel compounds and their use BIOVITRUM AB (PUBL) (SE) 2003-12-18 — — US disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 — — US disclosed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 — — US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 — — US disclosed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 — — WO disclosed
WO-1998033504-A1 TREATMENT OF URINARY INCONTINENCE AKZO NOBEL N.V. (NL) 1998-08-06 — — WO disclosed
EP-0370560-B1 Pharmaceutical composition containing 1-[mono- or bis (trifluoromethyl)-2-pyridinyl] piperazines AKZO NV (NL) 1994-01-12 — — EP disclosed
US-4971969-A NERVOUS SYSTEM DISORDERS AKZO N.V. (NL) 1990-11-20 — — US disclosed
US-4971969-A NERVOUS SYSTEM DISORDERS AKZO N.V. (NL) 1990-11-20 — — US disclosed
EP-0370560-A1 Pharmaceutical composition containing 1-[mono- or bis (trifluoromethyl)-2-pyridinyl] piperazines Akzo Nobel N.V. (NL) 1990-05-30 — — EP disclosed
EP-0370560-A1 Pharmaceutical composition containing 1-[mono- or bis (trifluoromethyl)-2-pyridinyl] piperazines Akzo Nobel N.V. (NL) 1990-05-30 — — 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-20030232814-A1 Novel compounds and their use GPR119, FABP4, MC4R EPHX2 1603/4885HTR2C 233/4885HTR2B 356/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 EPHX2 323/4885HTR2C 916/4885HTR2B 1039/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 EPHX2 323/4885HTR2C 916/4885HTR2B 1039/4885

“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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