SCHEMBL12437871

SCHEMBL12437871

CCn1c2ccc(CN3CCC(Oc4ccc(C(=O)NCC5(N(C)C)CCCCC5)cc4Cl)CC3)cc2c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.42
RORC P51449 2/20 0.39
SLC6A5 Q9Y345 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
CCR5 P51681 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 2/20 0.37
CCR2 P41597 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL12437852 0.90 UTS2R (0.44) UTS2RTP53THRBLMNA
SCHEMBL12437886 0.90 UTS2R (0.46) UTS2RRORCSLC6A5OPRM1OPRD1
SCHEMBL12437875 0.89 UTS2R (0.45) UTS2RRORCTP53THRBLMNA
SCHEMBL12437856 0.85 UTS2R (0.46) UTS2RTP53THRBLMNA
SCHEMBL12437892 0.83 MCHR2 (0.42) UTS2RRORCTP53THRBLMNA
SCHEMBL12437873 0.83 UTS2R (0.47) UTS2RSLC6A5OPRM1OPRD1TP53
SCHEMBL12437896 0.82 UTS2R (0.44) UTS2RRORCSLC6A5OPRM1OPRD1
SCHEMBL12437904 0.81 UTS2R (0.43) UTS2RRORCTP53THRBLMNA
SCHEMBL12437851 0.80 UTS2R (0.44) UTS2RTP53
SCHEMBL12437913 0.80 UTS2R (0.48) UTS2RSLC6A5OPRM1OPRD1TP53

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-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 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-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD UTS2R 854/4885RORC 1725/4885SLC6A5 4085/4885

“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.