SCHEMBL5585237

SCHEMBL5585237

C[C@@H]1CNCCN1c1cc(C(F)(F)F)cc(OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.50
HTR2A P28223 4/20 0.44
KCNH2 Q12809 2/20 0.44
MITF O75030 1/20 0.44
HTR2B P41595 4/20 0.43
SLC6A4 P31645 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KHK P50053 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
IDE P14735 1/20 0.39
UBE2N P61088 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SPAST Q9UBP0 1/20 0.38
TACR1 P25103 1/20 0.37

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
SCHEMBL5585267 1.00 HTR2C (0.50) HTR2CHTR2AKCNH2MITFHTR2B
Acetic Acid SCHEMBL27512931 0.95 HTR2C (0.48) HTR2CHTR2AKCNH2MITFHTR2B
Acetic Acid SCHEMBL27541266 0.95 HTR2C (0.48) HTR2CHTR2AKCNH2MITFHTR2B
SCHEMBL5585322 0.83 HTR2C (0.50) HTR2CHTR2AKCNH2HTR2BSLC6A4
SCHEMBL3266340 0.81 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BSLC6A4
SCHEMBL3266437 0.81 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BSLC6A4
SCHEMBL3266609 0.81 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BSLC6A4
SCHEMBL5585663 0.80 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BSLC6A4
SCHEMBL5585664 0.80 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BSLC6A4
SCHEMBL5585849 0.80 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR2C 916/4885HTR2A 1308/4885KCNH2 2992/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR2C 916/4885HTR2A 1308/4885KCNH2 2992/4885

“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.