SCHEMBL4870650

SCHEMBL4870650

CC(Cn1cnc2ccc(Cl)cc2c1=O)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
KDM4E B2RXH2 2/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
CCR2 P41597 3/20 0.41
DRD2 P14416 1/20 0.41
KMT2A Q03164 1/20 0.40
KIF11 P52732 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL4869161 0.83 ADRA1D (0.56) OPRM1OPRK1OPRL1CCR2
SCHEMBL4874301 0.75 KDM4E (0.47) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4872035 0.73 ADRA1D (0.56) CYP2D6HTR2AHTR7
SCHEMBL4872113 0.72 ADRA1A (0.55) CYP2D6HTR2AHTR7DRD2
SCHEMBL30909145 0.72 KDM4E (0.58) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4913617 0.71 ADRA1D (0.53) HTR2AHTR7DRD2
SCHEMBL4871668 0.71 ADRA1D (0.54) HTR2AHTR7DRD2
Hydrogen Sulfide SCHEMBL27496541 0.71 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL25758177 0.69 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL11039324 0.68 KDM4E (0.58) KDM4EBRD4ALDH1A1POLBCREBBP

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 OPRM1 151/4885OPRK1 78/4885OPRL1 121/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A OPRM1 195/4885OPRK1 110/4885OPRL1 140/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A OPRM1 195/4885OPRK1 110/4885OPRL1 140/4885

“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.