SCHEMBL5128313

SCHEMBL5128313

CC(c1ccc(Oc2ccccc2)cc1)N1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.55
CYP2D6 P10635 1/20 0.45
MC4R P32245 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5128540 0.88 OGA (0.55) OGACYP2D6MC4RMEN1KMT2A
SCHEMBL5131000 0.84 ABCB1 (0.49) OGAMEN1KMT2ATSHRKDM4E
SCHEMBL5128323 0.83 OGA (0.51) OGATSHRKDM4EALDH1A1LMNA
SCHEMBL5128246 0.83 HRH3 (0.60) OGAMEN1KMT2AHRH3PRMT5
SCHEMBL19266658 0.83 HRH3 (0.54) OGAMEN1KMT2AHRH3PRMT5
SCHEMBL5120634 0.82 OGA (0.50) OGAMEN1KMT2ATSHRALDH1A1
SCHEMBL5132002 0.81 OGA (0.48) OGAMEN1KMT2ATSHRKDM4E
SCHEMBL5126941 0.79 OGA (0.49) OGAMEN1KMT2ATSHRALDH1A1
SCHEMBL15131063 0.78 OGA (0.56) OGATSHRKDM4EALDH1A1LMNA
SCHEMBL24804857 0.75 OGA (0.64) OGAMEN1KMT2ATSHRKDM4E

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 OGA 4569/4885CYP2D6 1169/4885MC4R 7/4885

“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.