SCHEMBL4040327

SCHEMBL4040327

CC(=O)Nc1ccc(CN2CCNCC2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SIGMAR1 Q99720 2/20 0.47
PKM P14618 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
BACE1 P56817 1/20 0.42
OPRM1 P35372 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL28616803 0.81 HRH3 (0.46) ALDH1A1KDM4EHRH3POLBMEN1
SCHEMBL20333302 0.81 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL20684924 0.81 HRH3 (0.36) ALDH1A1KDM4EHRH3
Hydrochloric Acid SCHEMBL20304862 0.80 HRH3 (0.45) ALDH1A1KDM4EHRH3POLBMEN1
Hydrochloric Acid SCHEMBL20304864 0.80 HRH3 (0.45) ALDH1A1KDM4EHRH3POLBMEN1
Hydrochloric Acid SCHEMBL4417650 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHRH3HTR2CMAPT
Hydrochloric Acid SCHEMBL1642933 0.80 HRH3 (0.45) ALDH1A1KDM4EHRH3POLBMEN1
SCHEMBL13248949 0.80 POLB (0.40) ALDH1A1KDM4EHRH3POLBHTT
Hydrochloric Acid SCHEMBL2900811 0.79 POLB (0.40) ALDH1A1KDM4EHRH3POLBHTT
SCHEMBL28295939 0.77 MAPT (0.50) ALDH1A1KDM4EPOLBMEN1KMT2A

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
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO 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 (2 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 ALDH1A1 3369/4885KDM4E 2836/4885SIGMAR1 2292/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS ALDH1A1 4117/4885KDM4E 2452/4885SIGMAR1 568/4885

“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.