SCHEMBL12892174

SCHEMBL12892174

COC(=O)CC(c1ccc2c(c1)OCC2)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.41
SLC6A4 P31645 8/20 0.41
SLC6A3 Q01959 8/20 0.41
OGA O60502 6/20 0.41
FFAR1 O14842 5/20 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
SCHEMBL10154316 0.89 OGA (0.43) OGAFFAR1
SCHEMBL16299424 0.86 OGA (0.43) OGAFFAR1
SCHEMBL12892175 0.81 GPR119 (0.44) OGA
SCHEMBL10154273 0.74 OGA (0.39) OGA
SCHEMBL2963567 0.74 ITGB3 (0.57)
SCHEMBL2928639 0.74 ITGB3 (0.71)
SCHEMBL31150973 0.73 REN (0.41) FFAR1
SCHEMBL15971975 0.71 FFAR1 (0.62) FFAR1
SCHEMBL15971974 0.71 FFAR1 (0.62) FFAR1
SCHEMBL8346388 0.71 GPR119 (0.43) OGA

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-7879881-B2 1-[[3-[(1,4,5,6-Tetrahydro-2-pyrimidinyl)amino]phenyl]acetyl]-4-piperidinepropanoic acid; new class of selective modulator of beta 3, beta 5 or dual integrin receptors; anticarcinogenic, antiinflammatory, antidiabetic agent JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 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-20080058359-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B SLC6A2 4137/4885SLC6A4 3832/4885SLC6A3 3997/4885

“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.