SCHEMBL3840223

SCHEMBL3840223

CN(C)CCN1C=C(C(=O)Nn2ccc3ccccc32)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 3/20 0.36
CYP1A2 P05177 1/20 0.36
HTR6 P50406 4/20 0.34
HTR1D P28221 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL3840373 0.87 MAPT (0.35) ALDH1A1HTTTSHRPOLBHTR6
SCHEMBL3840356 0.86 NR4A2 (0.39) ALDH1A1HTR6HPGDKDM4E
SCHEMBL4523596 0.83 HTR7 (0.40) HTR6KDM4ESIGMAR1
SCHEMBL3842940 0.82 NOTUM (0.36) ALDH1A1HTTTSHRPOLBCYP1A2
SCHEMBL3857452 0.81 DRD3 (0.38) HTR2CHTR2AALDH1A1MEN1KMT2A
SCHEMBL3877657 0.77 CA12 (0.31) MAPK1
SCHEMBL3837835 0.77 HTR2C (0.41) HTR2CHTR2AALDH1A1HTTTSHR
Hydrochloric Acid SCHEMBL4513858 0.76 HTR2C (0.41) HTR2CHTR2AALDH1A1HTTTSHR
SCHEMBL3838167 0.71 KDM5A (0.36) ALDH1A1POLBCYP1A2MAPTKDM4E
SCHEMBL4522597 0.71 LMNA (0.38) ALDH1A1HTTMEN1KMT2AHPGD

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTR2C 2387/4885HTR2A 798/4885ALDH1A1 1333/4885

“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.