SCHEMBL4874301

SCHEMBL4874301

CC(Cn1nnc2ccccc2c1=O)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
CREBBP Q92793 1/20 0.47
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
HTR2A P28223 3/20 0.44
HTR7 P34969 3/20 0.44
DRD2 P14416 1/20 0.44
ADRA1D P25100 4/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4868295 0.82 ADRA1D (0.57) HTR2AHTR7ADRA1D
SCHEMBL4871536 0.82 ALDH1A1 (0.46) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL4865515 0.80 ADRA1D (0.64) ADRA1D
SCHEMBL30909145 0.77 KDM4E (0.58) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4865721 0.77 KDM4E (0.59) KDM4EPOLBHTR2ADRD2
Hydrogen Sulfide SCHEMBL27496541 0.76 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4870650 0.75 OPRM1 (0.45) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL25758177 0.74 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL28007587 0.71 KDM4E (0.55) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL13173790 0.70 ALDH1A1 (0.65) KDM4EALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939870-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2005-09-06 US claimed
US-20040204402-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH 2004-10-14 US claimed
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 KDM4E 1002/4885BRD4 390/4885ALDH1A1 420/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A KDM4E 827/4885BRD4 466/4885ALDH1A1 695/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A KDM4E 827/4885BRD4 466/4885ALDH1A1 695/4885

“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.