SCHEMBL3267100

SCHEMBL3267100

c1ccc(Oc2cncc(N3CCNCC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.55
HTR2A P28223 4/20 0.55
HTR2B P41595 3/20 0.55
HTR1A P08908 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
LTA4H P09960 1/20 0.51
ADRB1 P08588 4/20 0.51
HTR3A P46098 4/20 0.51
HTR7 P34969 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
CHRM4 P08173 1/20 0.51

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
SCHEMBL3266908 0.84 HTR2C (0.63) HTR2CHTR2AHTR2BHTR1AALDH1A1
SCHEMBL3267817 0.84 HTR2C (0.66) HTR2CHTR2AHTR2BHTR1AALDH1A1
SCHEMBL3272681 0.83 HTR2C (0.65) HTR2CHTR2AHTR2BHTR1AALDH1A1
SCHEMBL3266729 0.83 HTR2C (0.65) HTR2CHTR2AHTR2BHTR1AALDH1A1
SCHEMBL3266427 0.82 HTR3E (0.54) HTR2CHTR1AALDH1A1KDM4ECYP1A2
SCHEMBL3267901 0.82 HTR2C (0.58) HTR2CHTR2AHTR2BHTR1AALDH1A1
SCHEMBL3266339 0.82 HTR2C (0.64) HTR2CHTR2AHTR2BHTR1AALDH1A1
SCHEMBL3268243 0.81 HTR2C (0.72) HTR2CHTR2AHTR2BHTR1AALDH1A1
SCHEMBL3270243 0.81 HTR2C (0.62) HTR2CHTR2AHTR2BHTR1AALDH1A1
SCHEMBL906114 0.80 HTR2C (0.74) HTR2CHTR2AHTR2BHTR1AALDH1A1

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 7 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-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 1308/4885HTR2B 1039/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR2C 916/4885HTR2A 1308/4885HTR2B 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.