SCHEMBL5585322

SCHEMBL5585322

C[C@@H]1CNCCN1c1cccc(OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.50
HTR2B P41595 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PIM1 P11309 3/20 0.43
PIM3 Q86V86 3/20 0.43
PIM2 Q9P1W9 3/20 0.43
HTR2A P28223 5/20 0.42
HRH4 Q9H3N8 1/20 0.41
HTR6 P50406 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
FPR3 P25089 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL3266340 0.86 HTR2C (0.51) HTR2CHTR2BCYP1A2CYP3A4PIM1
SCHEMBL3266437 0.86 HTR2C (0.51) HTR2CHTR2BCYP1A2CYP3A4PIM1
SCHEMBL3266609 0.86 HTR2C (0.51) HTR2CHTR2BCYP1A2CYP3A4PIM1
SCHEMBL5585237 0.83 HTR2C (0.50) HTR2CHTR2BCYP1A2CYP3A4HTR2A
SCHEMBL5585267 0.83 HTR2C (0.50) HTR2CHTR2BCYP1A2CYP3A4HTR2A
SCHEMBL29668515 0.82 HTR2C (0.43) HTR2CHTR2BPIM1PIM3PIM2
SCHEMBL21098718 0.81 ALOX5 (0.48) HTR2CHTR2BPIM1PIM3PIM2
SCHEMBL21098721 0.81 ALOX5 (0.48) HTR2CHTR2BPIM1PIM3PIM2
Maleic Acid SCHEMBL27538992 0.80 HTR2C (0.45) HTR2CHTR2BCYP1A2CYP3A4PIM1
Maleic Acid SCHEMBL27538993 0.80 HTR2C (0.45) HTR2CHTR2BCYP1A2CYP3A4PIM1

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 916/4885HTR2B 1039/4885CYP1A2 24/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR2C 916/4885HTR2B 1039/4885CYP1A2 24/4885

“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.