SCHEMBL5128244

SCHEMBL5128244

CC(C)(C)c1ccc(Oc2cccc(CN3CCc4cc(Cl)c(Cl)cc4C3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.51
ALDH1A1 P00352 3/20 0.50
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
REV1 Q9UBZ9 1/20 0.45
ABCB1 P08183 1/20 0.44

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
SCHEMBL5131977 0.88 REV1 (0.57) FAAHALDH1A1KDM4ETDP1REV1
SCHEMBL5128293 0.87 FAAH (0.48) FAAHALDH1A1CHRM2HTR1ACHRM3
SCHEMBL5128254 0.87 FAAH (0.48) FAAHALDH1A1CHRM2HTR1ACHRM3
SCHEMBL5131895 0.86 SIGMAR1 (0.58) FAAHALDH1A1CHRM2HTR1ACHRM3
SCHEMBL5125860 0.83 REV1 (0.54) FAAHKDM4ETDP1REV1ABCB1
SCHEMBL5127723 0.83 REV1 (0.54) FAAHKDM4ETDP1REV1ABCB1
SCHEMBL5131166 0.81 REV1 (0.61) ALDH1A1CHRM2HTR1ACHRM3DRD4
SCHEMBL5129766 0.80 REV1 (0.62) ALDH1A1CHRM2HTR1ACHRM3DRD4
SCHEMBL5131159 0.79 REV1 (0.56) ALDH1A1KDM4ETDP1REV1ABCB1
SCHEMBL5125365 0.78 ABCB1 (0.69) ALDH1A1CHRM2HTR1ACHRM3DRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues NEUROGEN CORPORATION 2008-07-03 US claimed
WO-2005077903-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED TETRAHYDROISOQUINOLINE ANALOGUES NEUROGEN CORPORATION (US) 2005-08-25 WO claimed
US-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues NEUROGEN CORPORATION 2008-07-03 US disclosed
US-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues NEUROGEN CORPORATION 2008-07-03 US disclosed
US-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues NEUROGEN CORPORATION 2008-07-03 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-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues MCHR1, MCHR2, MC1R FAAH 1679/4885ALDH1A1 2248/4885CHRM2 349/4885

“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.