SCHEMBL5585311

SCHEMBL5585311

FC(F)(F)Oc1cccc(COc2nccc(N3CCNCC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.52
RXRA P19793 6/20 0.45
GRIN1 Q05586 6/20 0.45
GRIN2B Q13224 6/20 0.45
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
TACR1 P25103 1/20 0.44
PRMT5 O14744 1/20 0.44
ADRB1 P08588 2/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
FPR3 P25089 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1E P28566 1/20 0.43
GPR183 P32249 1/20 0.43

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
SCHEMBL906199 0.87 HTR6 (0.51) HTR2CHTR2AHTR2BPRMT5ADRB1
SCHEMBL905954 0.86 KDM4E (0.51) PIM1HTR2CHTR2AHTR2BPRMT5
SCHEMBL5585277 0.85 ADRB1 (0.54) RXRAGRIN1GRIN2BHTR2CHTR2A
SCHEMBL5585318 0.85 HTR2A (0.45) PIM1HTR2CHTR2AHTR2BPRMT5
SCHEMBL906110 0.84 PRMT5 (0.56) RXRAGRIN1GRIN2BHTR2CHTR2A
SCHEMBL906027 0.81 HTR2C (0.64) HTR2CHTR2AHTR2BADRB1CHRM4
SCHEMBL906132 0.81 HTR1A (0.53) PIM1HTR2CHTR2AHTR2BPRMT5
SCHEMBL5585635 0.80 HTR3A (0.48) PIM1HTR2CHTR2AHTR2BPRMT5
SCHEMBL905995 0.78 HRH3 (0.48) RXRAGRIN1GRIN2BHTR2CHTR2A
SCHEMBL905754 0.75 HTR2C (0.50) HTR2CHTR2AHTR2BTACR1ADRB1

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 PIM1 2536/4885RXRA 48/4885GRIN1 253/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 PIM1 2536/4885RXRA 48/4885GRIN1 253/4885

“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.