SCHEMBL4873344

SCHEMBL4873344

COc1cc2ncn(CCCCN3CC=C(c4c[nH]c5ccccc45)CC3)c(=O)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.56
HTR1A P08908 5/20 0.53
SLC6A4 P31645 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
HTR2A P28223 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL4872140 0.98 DRD2 (0.54) DRD2HTR1ASLC6A4SIGMAR1HTR2A
SCHEMBL4868630 0.95 HTR1A (0.55) DRD2HTR1ASLC6A4SIGMAR1HTR2A
SCHEMBL4870640 0.94 HTR1A (0.54) DRD2HTR1ASLC6A4HTR2AKDM4E
SCHEMBL4872356 0.88 DRD2 (0.58) DRD2HTR1ASLC6A4HTR2A
SCHEMBL4869010 0.85 HTR1A (0.55) DRD2HTR1ASLC6A4HTR2A
SCHEMBL4862051 0.84 DRD2 (0.59) DRD2HTR1ASLC6A4SIGMAR1
SCHEMBL4867310 0.82 HTR1A (0.62) DRD2HTR1ASLC6A4SIGMAR1HTR2A
SCHEMBL7418243 0.80 DRD2 (0.67) DRD2HTR1ASLC6A4HTR2A
SCHEMBL4865544 0.80 DRD2 (0.59) DRD2HTR1ASLC6A4HTR2AKDM4E
SCHEMBL4913617 0.79 ADRA1D (0.53) DRD2HTR1ASLC6A4HTR2A

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 12 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-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 DRD2 25/4885HTR1A 3/4885SLC6A4 21/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A DRD2 23/4885HTR1A 3/4885SLC6A4 20/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A DRD2 23/4885HTR1A 3/4885SLC6A4 20/4885

“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.