SCHEMBL5585277

SCHEMBL5585277

FC(F)(F)c1cccc(COc2nccc(N3CCNCC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.54
HTR6 P50406 2/20 0.51
HTR2C P28335 5/20 0.49
HTR1D P28221 2/20 0.47
HTR3A P46098 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
RXRA P19793 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
SLC6A4 P31645 1/20 0.46
KARS1 Q15046 1/20 0.46

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
SCHEMBL906110 0.85 PRMT5 (0.56) ADRB1HTR6HTR2CHTR1DHTR3A
SCHEMBL5585311 0.85 PIM1 (0.52) ADRB1HTR2CHTR1DHTR3ASIGMAR1
SCHEMBL906027 0.83 HTR2C (0.64) ADRB1HTR6HTR2CHTR1DHTR3A
SCHEMBL906132 0.82 HTR1A (0.53) ADRB1HTR6HTR2CHTR1DHTR3A
SCHEMBL906199 0.82 HTR6 (0.51) ADRB1HTR6HTR2CHTR1DHTR3A
SCHEMBL905954 0.81 KDM4E (0.51) ADRB1HTR6HTR2CHTR1DHTR3A
SCHEMBL5585318 0.80 HTR2A (0.45) ADRB1HTR6HTR2CHTR1DHTR3A
SCHEMBL5585635 0.80 HTR3A (0.48) ADRB1HTR6HTR2CHTR1DHTR3A
SCHEMBL905995 0.79 HRH3 (0.48) ADRB1HTR6HTR2CHTR1DHTR3A
SCHEMBL905754 0.77 HTR2C (0.50) ADRB1HTR6HTR2CHTR1DHTR3A

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 ADRB1 275/4885HTR6 1569/4885HTR2C 916/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ADRB1 275/4885HTR6 1569/4885HTR2C 916/4885

“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.