SCHEMBL3272686

SCHEMBL3272686

CC(Oc1cncc(N2CCNCC2)n1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.56
HTR2A P28223 4/20 0.48
HTR1A P08908 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR2B P41595 3/20 0.44
CHRM4 P08173 1/20 0.43
ADRB1 P08588 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

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
SCHEMBL3267723 0.95 HTR2C (0.58) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL4430211 0.77 HTR2C (0.58) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL3266588 0.77 HTR2C (0.76) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL3270209 0.76 HTR2C (0.52) HTR2CHTR2AHTR1AKDM4EMEN1
Hydrochloric Acid SCHEMBL11607113 0.76 HTR2C (0.57) HTR2CHTR2AHTR1AKDM4EMEN1
Hydrochloric Acid SCHEMBL26600827 0.76 HTR2C (0.57) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL3266490 0.75 HTR2C (0.57) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL25098488 0.75 HTR2C (0.58) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL30620651 0.75 HTR2C (0.58) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL7209543 0.74 HTR2C (0.56) HTR2CHTR2AHTR1AKDM4EMEN1

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 1308/4885HTR1A 611/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR2C 916/4885HTR2A 1308/4885HTR1A 611/4885

“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.