SCHEMBL4871536

SCHEMBL4871536

CC(Cn1nnc2ccccc2c1=O)N1CCC(c2cn(C)c3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 2/20 0.39
GPR139 Q6DWJ6 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4870400 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4874301 0.82 KDM4E (0.47) ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4862101 0.70 ACHE (0.51) ALDH1A1KDM4E
SCHEMBL13173790 0.70 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL17067795 0.68 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4E
SCHEMBL6663571 0.66 LMNA (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL28127883 0.66 ALDH1A1 (0.49) ALDH1A1KMT2ARAB9A
SCHEMBL5937370 0.65 DRD2 (0.49) ALDH1A1KMT2A
SCHEMBL4865721 0.65 KDM4E (0.59) KDM4ERAB9ANPC1
SCHEMBL4868295 0.65 ADRA1D (0.57)

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 ALDH1A1 420/4885SMN1; SMN2 1158/4885KMT2A 1643/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A ALDH1A1 695/4885SMN1; SMN2 978/4885KMT2A 2004/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A ALDH1A1 695/4885SMN1; SMN2 978/4885KMT2A 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.