SCHEMBL873466

SCHEMBL873466

COc1ccc(N2CCNCC2)cc1OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.51
HTR3E A5X5Y0 3/20 0.51
HTR3B O95264 3/20 0.51
HTR3A P46098 3/20 0.51
HTR3D Q70Z44 3/20 0.51
HTR3C Q8WXA8 3/20 0.51
SIGMAR1 Q99720 2/20 0.51
HTR1A P08908 2/20 0.51
HTR7 P34969 2/20 0.51
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAP2 P11137 2/20 0.48
ALK Q9UM73 1/20 0.47
TGFBR1 P36897 2/20 0.46
ACVR1 Q04771 2/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 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
SCHEMBL361649 0.88 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7711565 0.86 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2156292 0.86 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2875460 0.82 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2877824 0.81 ADRB1 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL22601530 0.81 HTR1A (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL26075887 0.81 HTR1A (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10154835 0.78 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10208374 0.78 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27403145 0.78 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D

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-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ADRB1 75/4885HTR3E 1195/4885HTR3B 671/4885

“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.