SCHEMBL5657912

SCHEMBL5657912

CCOc1ccccc1N(CCN1CCN(c2ncccn2)CC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
DRD4 P21917 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MDM2 Q00987 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
OPRM1 P35372 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HTR7 P34969 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL5657181 0.94 OPRM1 (0.54) HTR1ADRD4KDM4EMDM2ALDH1A1
SCHEMBL5656084 0.90 HTR1A (0.52) HTR1ADRD4ALDH1A1TSHRHTR7
SCHEMBL5658247 0.89 HTR1A (0.53) HTR1ADRD4ALDH1A1HRH3DRD2
SCHEMBL5657837 0.89 HTR1A (0.56) HTR1ADRD4ALDH1A1TSHROPRM1
SCHEMBL5655950 0.85 HTR1A (0.50) HTR1ADRD4OPRM1HTR7
SCHEMBL5656672 0.85 HTR1A (0.57) HTR1ADRD4KDM4EALDH1A1TSHR
SCHEMBL5666364 0.85 HTR1A (0.50) HTR1ADRD4OPRM1DRD2DRD3
SCHEMBL5659556 0.85 HTR4 (0.43) HTR1AOPRM1DRD2HTR7CYP3A4
SCHEMBL5657855 0.84 KMT2A (0.52) HTR1ADRD4KDM4EALDH1A1OPRM1
SCHEMBL5659352 0.84 HTR1A (0.49) HTR1ADRD4TSHROPRM1HRH3

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 8/4885DRD4 76/4885KDM4E 512/4885

“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.