SCHEMBL5127686

SCHEMBL5127686

Cc1nc(CN(C)C(=O)COc2ccc(F)cc2)c(-c2ccc(CN3C[C@@H](C)N[C@@H](C)C3)cc2)s1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLNR O43193 18/20 0.67
CYP3A4 P08684 9/20 0.67
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CCR1 P32246 1/20 0.40
CYP2D6 P10635 1/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL14001065 0.88 MLNR (0.53) MLNRCYP3A4
Hydrochloric Acid SCHEMBL5129748 0.87 MLNR (0.53) MLNRCYP3A4
SCHEMBL5122238 0.71 MLNR (0.62) MLNRCYP3A4CYP2D6GHSR
SCHEMBL5128288 0.71 MLNR (0.46) MLNRCYP3A4HCRTR1HCRTR2CYP2D6
SCHEMBL5132190 0.71 MLNR (0.39) MLNRCYP3A4
SCHEMBL14001063 0.71 MLNR (0.46) MLNRCYP3A4CYP2D6GHSR
SCHEMBL5129137 0.70 KDM4E (0.44) MLNRCYP3A4HCRTR1HCRTR2CYP2D6
SCHEMBL4790020 0.70 MLNR (0.44) MLNRCYP3A4
SCHEMBL4701395 0.69 MLNR (0.69) MLNRCYP3A4HCRTR1HCRTR2CYP2D6
SCHEMBL5132518 0.68 MLNR (0.70) MLNRCYP3A4CYP2D6GHSR

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-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US claimed
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 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-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GPR68, GPR55, GPR88 MLNR 207/4885CYP3A4 784/4885HCRTR1 300/4885

“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.