SCHEMBL3840170

SCHEMBL3840170

CCOC(=O)C1=CCCN(CCN2CCC=C(C(=O)Nn3ccc4ccccc43)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL3837780 0.87 SIGMAR1 (0.38) KDM4ECYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL3841744 0.85 HPGD (0.38) KDM4ECYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL3841799 0.84 SLC6A1 (0.37) KDM4ECYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL3837835 0.83 HTR2C (0.41) KDM4ECYP1A2CYP2D6ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4513858 0.82 HTR2C (0.41) KDM4ECYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL3842592 0.80 CHRM2 (0.46) CYP1A2CYP2D6LMNABLMPMP22
SCHEMBL3842579 0.79 KMT2A (0.36) KDM4ECYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL3837325 0.78 CYP1A2 (0.51) KDM4ECYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL3842313 0.77 HTR7 (0.42) KDM4EALDH1A1MAPK1
SCHEMBL3837840 0.74 HTR7 (0.44) KDM4ECYP2D6ALDH1A1TP53SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES LES LABORATOIRES SERVIER (FR) 2009-12-03 US disclosed
CN-101578100-A Use of neuroprotective compounds for obtaining drugs for treating neurodegenerative diseases SERVIER LAB (FR) 2009-11-11 CN disclosed
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 US disclosed
CN-101257905-A Novel 1h-indole-pyridinecarboxamide derivatives and 1h-indole-piperidinecarboxamide and their use as hydroxalase tyrosine inducers SERVIER LAB (FR) 2008-09-03 CN 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-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES NLN, GAP43, SNCA KDM4E 4660/4885CYP1A2 4704/4885CYP2D6 4808/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 KDM4E 2039/4885CYP1A2 203/4885CYP2D6 264/4885

“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.