SCHEMBL5656351

SCHEMBL5656351

COc1ccccc1N(CCCN1CCN(c2ccccn2)CC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.57
HTR2A P28223 2/20 0.57
DRD2 P14416 1/20 0.57
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
HRH3 Q9Y5N1 2/20 0.53
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL5655625 0.94 ALDH1A1 (0.56) HTR1AHTR2ADRD2ADRA1DADRA1A
SCHEMBL5657707 0.91 HTR1A (0.59) HTR1AHTR2ADRD2SMN1; SMN2SIGMAR1
SCHEMBL5659495 0.90 OPRM1 (0.50) HTR1AHTR2ADRD2ALDH1A1HRH3
SCHEMBL5657431 0.89 LMNA (0.53) HTR1AHTR2ADRD2ALDH1A1HRH3
SCHEMBL5656321 0.88 HTR4 (0.49) HTR1AHTR2ADRD2ADRA1DADRA1A
SCHEMBL5657861 0.86 OPRM1 (0.55) HTR1AHTR2ADRD2ALDH1A1SIGMAR1
SCHEMBL5655837 0.85 DRD2 (0.63) HTR1AHTR2ADRD2ALDH1A1KDM4E
SCHEMBL5656281 0.84 OPRM1 (0.52) HTR1ADRD2ADRA1AHRH3POLB
SCHEMBL5658247 0.84 HTR1A (0.53) HTR1AHTR2ADRD2ADRA1DADRA1A
SCHEMBL5659286 0.84 ALDH1A1 (0.52) HTR1AHTR2ADRD2ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 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 (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-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof HTR4, HTR5A, HTR3C HTR1A 8/4885HTR2A 14/4885DRD2 73/4885

“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.