SCHEMBL13699524

SCHEMBL13699524

c1ccc([C@@H]2CNCCN2c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.59
SLC6A4 P31645 4/20 0.59
SLC6A3 Q01959 4/20 0.59
CYP2D6 P10635 1/20 0.59
HTR2C P28335 5/20 0.47
HTR2B P41595 5/20 0.47
HTR2A P28223 3/20 0.47
ADRB1 P08588 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL164537 1.00 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL5894706 0.98 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Methyl Alcohol SCHEMBL28137463 0.95 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL27587863 0.90 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL1945934 0.90 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL28597180 0.89 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Propanol SCHEMBL27627306 0.88 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Cyclohexanone SCHEMBL27571035 0.87 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL7998290 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL28597186 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK SLC6A2 275/4885SLC6A4 395/4885SLC6A3 135/4885

“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.