SCHEMBL5656050

SCHEMBL5656050

CCOc1ccccc1N(CCCN1CCN(c2ccc(F)cc2)CC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.55
MAPT P10636 1/20 0.52
ABCB1 P08183 1/20 0.49
HTR1A P08908 5/20 0.49
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
HTR2A P28223 2/20 0.49
HRH1 P35367 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTR7 P34969 2/20 0.48
HTR2C P28335 1/20 0.46
DRD4 P21917 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GFER P55789 1/20 0.45
TP53 P04637 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
SCHEMBL5655833 0.92 OPRM1 (0.55) OPRM1MAPTHTR1ADRD2DRD3
SCHEMBL5656327 0.91 OPRM1 (0.54) OPRM1HTR1ADRD2DRD3HTR2A
SCHEMBL5655939 0.90 OPRM1 (0.57) OPRM1HTR1AHRH1HTR7DRD4
SCHEMBL5657065 0.90 ALDH1A1 (0.51) OPRM1MAPTABCB1HTR1ADRD2
SCHEMBL5657837 0.87 HTR1A (0.56) OPRM1MAPTHTR1ADRD2HTR2A
SCHEMBL5656115 0.87 TP53 (0.51) OPRM1MAPTHTR1ADRD2DRD3
SCHEMBL5657181 0.86 OPRM1 (0.54) OPRM1HTR1ADRD2DRD3HTR2A
SCHEMBL5655950 0.86 HTR1A (0.50) OPRM1MAPTHTR1AHTR2ASIGMAR1
SCHEMBL5656018 0.85 KCNH2 (0.54) OPRM1MAPTHTR1ADRD2DRD3
SCHEMBL5658017 0.85 HTR7 (0.58) OPRM1MAPTHTR1ADRD2SIGMAR1

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-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 US claimed
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 OPRM1 242/4885MAPT 3644/4885ABCB1 815/4885

“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.