SCHEMBL6894529

SCHEMBL6894529

COc1cccc(NCc2cccc(OCCOc3nccnc3N3CCNCC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.44
MAOB P27338 1/20 0.44
F2 P00734 1/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
ADRB1 P08588 1/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
GRK2 P25098 1/20 0.41
SRC P12931 1/20 0.41
NOS1 P29475 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 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
SCHEMBL4315672 0.86 ADRB1 (0.52) HTR6ADRB1HSD17B10USP2CYP1A2
SCHEMBL7476206 0.83 ADRB1 (0.51) HTR6ALDH1A1ADRB1HSD17B10ALOX15
SCHEMBL4006296 0.83 HTR6 (0.39) HTR6MAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL27507890 0.82 ADRB1 (0.48) HTR6KDM4EALDH1A1GAAADRB1
SCHEMBL4313494 0.82 CHRNB2 (0.41) HTR6ADRB1HSD17B10USP2CYP1A2
SCHEMBL7601597 0.81 ADRB1 (0.47) HTR6ALDH1A1ADRB1HSD17B10USP2
SCHEMBL4317285 0.80 ADORA2A (0.40) ALDH1A1HSD17B10SRCKMT2A
SCHEMBL4013116 0.80 VSIR (0.38) HTR6MAOBROCK2TLR7CYP3A4
SCHEMBL4324680 0.80 HTR6 (0.39) HTR6KDM4EALDH1A1ROCK2
SCHEMBL2640084 0.80 CHRNB2 (0.49) HTR6ADRB1HSD17B10USP2CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756377-B2 PIPERAZINYL)-3-(2-(3-(4-MORPHOLINYLMETHYL)PHENOXY)ETHOXY) PYRAZINE DERIVATIVES; FOR PROPHYLAXIS OR TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM AB (SE) 2004-06-29 US disclosed
EP-1337518-A1 PIPERAZINYLPYRAZINES COMPOUNDS AS ANTAGONISTS OF SEROTONIN 5-HT2 RECEPTOR BIOVITRUM AB (SE) 2003-08-27 EP disclosed
US-20020103204-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-08-01 US disclosed
WO-2002040457-A1 PIPERAZINYLPYRAZINES COMPOUNDS AS ANTAGONISTS OF SEROTONIN 5-HT2 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 (1 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-20020103204-A1 Novel compounds and their use HTR2C, HTR1A, HTR1B HTR6 16/4885MAOB 123/4885F2 2870/4885

“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.