SCHEMBL3605703

SCHEMBL3605703

c1cc2c(c(N3CCCNCC3)c1)OCCC2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.57
HTR2A P28223 3/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 2/20 0.47
DRD1 P21728 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR1A P08908 3/20 0.47
HTR6 P50406 7/20 0.46
HTR2C P28335 3/20 0.44
HTR2B P41595 2/20 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
SCHEMBL3615477 0.96 ADRB1 (0.61) ADRB1HTR2ADRD2DRD3DRD1
Hydrochloric Acid SCHEMBL5218353 0.94 ADRB1 (0.60) ADRB1HTR2ADRD2DRD3DRD1
Hydrochloric Acid SCHEMBL5362928 0.94 ADRB1 (0.60) ADRB1HTR2ADRD2DRD3DRD1
SCHEMBL3610680 0.93 ADRB1 (0.58) ADRB1HTR2ADRD2DRD3DRD1
SCHEMBL4948654 0.92 ADRB1 (0.60) ADRB1HTR2ADRD2DRD3DRD1
SCHEMBL3605711 0.87 ADRB1 (0.65) ADRB1HTR2ADRD2DRD3DRD1
Hydrochloric Acid SCHEMBL5223815 0.85 ADRB1 (0.63) ADRB1HTR2ADRD2DRD3DRD1
Hydrochloric Acid SCHEMBL5365168 0.85 ADRB1 (0.63) ADRB1HTR2ADRD2DRD3DRD1
SCHEMBL13533075 0.80 HTR1A (0.53) HTR2ADRD2DRD3DRD1HTR1A
SCHEMBL6582397 0.78 HTR1A (0.49) ADRB1HTR2ADRD2HTR1A

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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 EP 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 ADRB1 370/4885HTR2A 24/4885DRD2 123/4885

“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.