SCHEMBL12713072

SCHEMBL12713072

CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2OCCN2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 3/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ STS P08842 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL12713087 0.95 SMN1; SMN2 (0.48) UTS2RCNR1SMN1; SMN2STSTP53
SCHEMBL12713105 0.94 SMN1; SMN2 (0.49) UTS2RCNR1SMN1; SMN2TP53LMNA
SCHEMBL12713082 0.89 ALDH1A1 (0.47) SMN1; SMN2TP53LMNAMEN1KMT2A
SCHEMBL12713042 0.86 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19SMN1; SMN2TP53
SCHEMBL12713162 0.83 CNR1 (0.44) UTS2RCNR1SMN1; SMN2STSTP53
SCHEMBL12713094 0.83 SCN9A (0.47) TP53POLBLMNAHPGD
SCHEMBL12713241 0.83 CHRNB2 (0.45) UTS2RCNR1SMN1; SMN2STSTP53
SCHEMBL12713160 0.83 ADAM17 (0.44) CNR1SMN1; SMN2STSTP53POLB
SCHEMBL12713141 0.82 SMN1; SMN2 (0.47) UTS2RCNR1SMN1; SMN2STSTP53
SCHEMBL12713099 0.82 MEN1 (0.52) CNR1SMN1; SMN2STSTP53POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 — — US disclosed
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 — — US disclosed
WO-2009015867-A1 SUBSTITUTED ARYL OR HETEROARYLPIPERDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-02-05 — — WO disclosed
EP-2020405-A1 Substituted aryl or heteroarylpiperidine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-02-04 — — EP disclosed
WO-2007115798-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-10-18 — — WO 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-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R UTS2R 1096/4885CYP1A2 2577/4885CYP2D6 1974/4885

“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.

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