SCHEMBL3837840

SCHEMBL3837840

COc1ccc2c(ccn2NC(=O)C2=CCCN(CCN3CCN(C)CC3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PRMT5 O14744 3/20 0.39
HTR6 P50406 4/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL3842803 0.89 LMNA (0.46) MTNR1AMTNR1BSMN1; SMN2PRMT5HTR6
SCHEMBL3842313 0.87 HTR7 (0.42) HTR7PRMT5HTR6ALDH1A1KDM4E
SCHEMBL3841078 0.86 HTR7 (0.43) HTR7SMN1; SMN2HTR6TP53ALDH1A1
SCHEMBL3837780 0.85 SIGMAR1 (0.38) HTR7HTR6TP53CYP2D6ALDH1A1
SCHEMBL3841799 0.78 SLC6A1 (0.37) HTR6TP53CYP2D6ALDH1A1KDM4E
SCHEMBL3841744 0.76 HPGD (0.38) SMN1; SMN2HTR6TP53CYP3A4CYP2D6
SCHEMBL3843600 0.76 HTR6 (0.35) HTR7SMN1; SMN2PRMT5HTR6TP53
SCHEMBL3842778 0.76 HTR7 (0.44) HTR7MTNR1AMTNR1BSMN1; SMN2TP53
SCHEMBL3840170 0.74 KDM4E (0.35) SMN1; SMN2TP53CYP2D6ALDH1A1KDM4E
SCHEMBL3840185 0.74 THRB (0.42) HTR6TP53

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 3 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
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

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 HTR7 1269/4885MTNR1A 70/4885MTNR1B 133/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 HTR7 194/4885MTNR1A 34/4885MTNR1B 70/4885

“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.