SCHEMBL4871793

SCHEMBL4871793

Cn1cc(C2=CCN(CCn3cnc4ccccc4c3=O)CC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.44
HTR1A P08908 6/20 0.43
HTR7 P34969 3/20 0.43
HTR6 P50406 3/20 0.42
ACHE P22303 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD5 P21918 1/20 0.41
SLC6A4 P31645 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
SCHEMBL4867310 0.80 HTR1A (0.62) DRD2HTR1AHTR6SLC6A4
SCHEMBL4872977 0.79 ALDH1A1 (0.46) DRD2HTR6
SCHEMBL4862101 0.75 ACHE (0.51) DRD2DRD3HTR1AHTR7ACHE
SCHEMBL11784970 0.73 HTR6 (0.65) DRD2DRD3HTR1AHTR6
SCHEMBL31094938 0.72 DRD2 (0.63) DRD2DRD3HTR1AHTR7ACHE
SCHEMBL4865544 0.72 DRD2 (0.59) DRD2DRD3HTR1AHTR7HTR6
SCHEMBL6143710 0.71 DRD2 (0.62) DRD2DRD3HTR1AHTR7ACHE
SCHEMBL7418243 0.70 DRD2 (0.67) DRD2DRD3HTR1AHTR7HTR6
SCHEMBL4868630 0.70 HTR1A (0.55) DRD2DRD3HTR1ASLC6A4
SCHEMBL29930695 0.70 NPSR1 (0.65) DRD2DRD3HTR1AHTR7ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332506-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2008-02-19 US disclosed
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2007-03-01 US disclosed
US-7148235-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2006-12-12 US disclosed
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2005-10-27 US disclosed
US-6939870-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2005-09-06 US disclosed
US-20040204402-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH 2004-10-14 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 (3 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-20040204402-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A DRD2 25/4885DRD3 34/4885HTR1A 3/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A DRD2 23/4885DRD3 32/4885HTR1A 3/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A DRD2 23/4885DRD3 32/4885HTR1A 3/4885

“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.