SCHEMBL5129766

SCHEMBL5129766

COc1cc2c(cc1OC)CN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.62
ABCB1 P08183 9/20 0.61
ABCC1 P33527 4/20 0.61
ABCG2 Q9UNQ0 2/20 0.61
ALDH1A1 P00352 1/20 0.60
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
DHCR7 Q9UBM7 2/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
CHRM3 P20309 1/20 0.52
DRD4 P21917 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL5125365 0.92 ABCB1 (0.69) REV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL5128393 0.92 REV1 (0.69) REV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL5130886 0.91 REV1 (0.67) REV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL5131166 0.90 REV1 (0.61) REV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL5128855 0.90 REV1 (0.60) REV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL5120567 0.89 REV1 (0.57) REV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL5125747 0.88 REV1 (0.64) REV1ABCB1ABCC1ABCG2KDM4E
SCHEMBL5131977 0.87 REV1 (0.57) REV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL5131975 0.86 REV1 (0.56) REV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL5125771 0.86 REV1 (0.59) REV1ABCB1ABCC1ABCG2ALDH1A1

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-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 REV1 2490/4885ABCB1 2755/4885ABCC1 4549/4885

“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.