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SCHEMBL12437869

SCHEMBL12437869

CCn1c2ccccc2c2cc(CN3CCC(Oc4ncc(C(=O)NCC5(N(C)C)CCCCC5)cc4Cl)CC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCHR2 Q969V1 7/20 0.43
▸ TP53 P04637 7/20 0.42
▸ MAPT P10636 5/20 0.42
▸ THRB P10828 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 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
SCHEMBL12437852 0.89 UTS2R (0.44) MCHR2TP53MAPTTHRBFAAH
SCHEMBL12437875 0.88 UTS2R (0.45) MCHR2TP53MAPTTHRBFAAH
SCHEMBL12437761 0.87 TP53 (0.45) MCHR2TP53MAPTTHRBFAAH
SCHEMBL12437860 0.84 TP53 (0.49) MCHR2TP53MAPTTHRBFAAH
SCHEMBL12437856 0.83 UTS2R (0.46) MCHR2TP53MAPTTHRBFAAH
SCHEMBL12437892 0.82 MCHR2 (0.42) MCHR2TP53MAPTTHRBFAAH
SCHEMBL12437873 0.82 UTS2R (0.47) TP53LMNAKDM4E
SCHEMBL12437886 0.81 UTS2R (0.46) TP53
SCHEMBL12437748 0.81 TP53 (0.45) TP53MAPTTHRBFAAHLMNA
SCHEMBL12513659 0.80 OPRK1 (0.53) TP53LMNAKDM4EGAA

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 6 patents. 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
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 — — US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 — — US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 — — US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 — — US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 — — 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 (3 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS MCHR2 4797/4885TP53 1/4885MAPT 4855/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD MCHR2 3471/4885TP53 7/4885MAPT 4821/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MCHR2 3471/4885TP53 7/4885MAPT 4821/4885

“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.