SCHEMBL4013116

SCHEMBL4013116

OCCNCc1cccc(OCCOc2nccnc2N2CCNCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 3/20 0.38
POLB P06746 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
ROCK1 Q13464 2/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
ROCK2 O75116 1/20 0.37
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAOB P27338 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL4324680 0.87 HTR6 (0.39) ROCK1ROCK2HTR6
SCHEMBL4313451 0.84 KDM4E (0.39) CYP3A4HTR6
SCHEMBL4006296 0.83 HTR6 (0.39) ROCK1ROCK2MAOBHTR6
SCHEMBL4313494 0.81 CHRNB2 (0.41) CYP3A4HTR6
SCHEMBL6894529 0.80 HTR6 (0.44) ROCK2CYP3A4MAOBHTR6TLR7
SCHEMBL4308724 0.80 EPHX2 (0.40) DRD2DRD4DRD3HTR6
SCHEMBL4308710 0.80 CHRNB4 (0.40)
SCHEMBL4001244 0.80 KDM4E (0.43) TSHRCYP3A4CYP2D6HTR6
SCHEMBL7601597 0.80 ADRB1 (0.47) ACVR1TSHRCYP3A4CYP2D6HTR6
SCHEMBL4315394 0.79 PRMT5 (0.48) TSHRMAOBHTR6TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337518-B1 PIPERAZINYLPYRAZINES COMPOUNDS AS ANTAGONISTS OF SEROTONIN 5-HT2 RECEPTOR BIOVITRUM AB PUBL (SE) 2009-06-17 EP disclosed
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
US-20020103204-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-08-01 US 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 VSIR 2457/4885POLB 4741/4885DRD2 27/4885

“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.