SCHEMBL4872977

SCHEMBL4872977

Cn1cc(C2=CCN(CCCn3nnc4ccccc4c3=O)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 5/20 0.42
DRD2 P14416 2/20 0.41
HTR6 P50406 1/20 0.40

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
SCHEMBL4864320 0.82 DRD2 (0.62) DRD2HTR6
SCHEMBL4871793 0.79 DRD2 (0.44) DRD2HTR6
SCHEMBL4865241 0.76 DRD2 (0.59) DRD2HTR6
Hydrochloric Acid SCHEMBL5821441 0.73 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ADRD2
SCHEMBL5815944 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ADRD2
SCHEMBL11784970 0.72 HTR6 (0.65) DRD2HTR6
Hydrochloric Acid SCHEMBL5818575 0.70 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ADRD2
SCHEMBL9757375 0.70 HTR7 (0.50) DRD2HTR6
SCHEMBL4870400 0.69 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ADRD2
SCHEMBL5815713 0.69 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ADRD2

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 10 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-7332506-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2008-02-19 US disclosed
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-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2007-03-01 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 ALDH1A1 420/4885MEN1 2425/4885KMT2A 1643/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A ALDH1A1 695/4885MEN1 2201/4885KMT2A 2004/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A ALDH1A1 695/4885MEN1 2201/4885KMT2A 2004/4885

“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.