SCHEMBL4872274

SCHEMBL4872274

O=c1c2ccccc2nnn1CCCCl

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 2/20 0.68
SLC9A1 P19634 1/20 0.62
NPC1 O15118 4/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 1/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL10919578 0.84 KMT2A (0.82) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5816179 0.84 KMT2A (0.68) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL17950740 0.84 MEN1 (0.68) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29201430 0.84 ALDH1A1 (0.82) KMT2AMEN1ALDH1A1SLC9A1NPC1
SCHEMBL8878218 0.83 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL4873292 0.81 KMT2A (1.00) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL379507 0.81 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL874199 0.81 KDM4E (0.70) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL3380663 0.79 KDM4E (0.74) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL12247551 0.78 ALDH1A1 (0.78) KMT2AMEN1ALDH1A1SLC9A1NPC1

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 6 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-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 KMT2A 1643/4885MEN1 2425/4885ALDH1A1 420/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A KMT2A 2004/4885MEN1 2201/4885ALDH1A1 695/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A KMT2A 2004/4885MEN1 2201/4885ALDH1A1 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.