SCHEMBL5585635

SCHEMBL5585635

c1ccc2cc(COc3nccc(N4CCNCC4)n3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.48
SLC6A4 P31645 4/20 0.46
HTR2C P28335 4/20 0.46
HTR7 P34969 3/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
HTR6 P50406 2/20 0.46
ADRB1 P08588 2/20 0.46
HTR1A P08908 2/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL906132 0.86 HTR1A (0.53) HTR3ASLC6A4HTR2CHTR7HTR3E
SCHEMBL905954 0.85 KDM4E (0.51) HTR3ASLC6A4HTR2CHTR7HTR6
SCHEMBL5585318 0.84 HTR2A (0.45) HTR3ASLC6A4HTR2CHTR7HTR6
SCHEMBL906199 0.84 HTR6 (0.51) HTR3ASLC6A4HTR2CHTR7HTR6
SCHEMBL906027 0.82 HTR2C (0.64) HTR3AHTR2CHTR7HTR6ADRB1
SCHEMBL906110 0.82 PRMT5 (0.56) HTR3ASLC6A4HTR2CHTR7HTR6
SCHEMBL905995 0.81 HRH3 (0.48) HTR3AHTR2CHTR7HTR6ADRB1
SCHEMBL905754 0.81 HTR2C (0.50) HTR3AHTR2CHTR7HTR3EHTR3B
SCHEMBL5585311 0.80 PIM1 (0.52) HTR3ASLC6A4HTR2CHTR7ADRB1
SCHEMBL5585277 0.80 ADRB1 (0.54) HTR3ASLC6A4HTR2CHTR7HTR3E

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 HTR3A 1862/4885SLC6A4 2499/4885HTR2C 916/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR3A 1862/4885SLC6A4 2499/4885HTR2C 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.