SCHEMBL5128288

SCHEMBL5128288

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLNR O43193 16/20 0.46
S1PR1 P21453 2/20 0.43
S1PR5 Q9H228 2/20 0.43
CYP3A4 P08684 9/20 0.43
CYP2D6 P10635 1/20 0.40
GHSR Q92847 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL14001063 0.91 MLNR (0.46) MLNRS1PR1S1PR5CYP3A4CYP2D6
SCHEMBL5129137 0.88 KDM4E (0.44) MLNRCYP3A4CYP2D6GHSRHCRTR1
SCHEMBL4790020 0.81 MLNR (0.44) MLNRS1PR1S1PR5CYP3A4
SCHEMBL4701395 0.79 MLNR (0.69) MLNRCYP3A4CYP2D6GHSRHCRTR1
SCHEMBL5132190 0.77 MLNR (0.39) MLNRCYP3A4
SCHEMBL5132518 0.77 MLNR (0.70) MLNRCYP3A4CYP2D6GHSR
SCHEMBL5131920 0.76 MLNR (0.47) MLNRS1PR1S1PR5CYP3A4CYP2D6
SCHEMBL269439 0.76 SMN1; SMN2 (0.48) HCRTR1HCRTR2FFAR4
SCHEMBL5121342 0.75 MLNR (0.64) MLNRCYP3A4CYP2D6GHSR
SCHEMBL20420969 0.75 ALDH1A1 (0.49) MLNRS1PR1S1PR5CYP3A4

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 1 patent. 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 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 207/4885S1PR1 437/4885S1PR5 367/4885

“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.