SCHEMBL3914967

SCHEMBL3914967

O=C(Nc1ccccc1)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.52
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 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
SCHEMBL3914881 0.89 KMT2A (0.51) MAPTCYP1A2ALDH1A1CYP2C19
SCHEMBL3926088 0.87 CXCR3 (0.41) CYP2D6GAA
SCHEMBL4035453 0.85 BCHE (0.47) FAAHMAPTALDH1A1GAAPKM
SCHEMBL1797763 0.85 CYP2D6 (0.51) CYP2D6OPRD1OPRK1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL1800654 0.84 CYP2D6 (0.50) CYP2D6OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL3918198 0.84 GAA (0.41) KDM4ECYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL4040634 0.82 BCHE (0.44) FAAHALDH1A1GAAPKM
SCHEMBL4036584 0.82 USP2 (0.49) FAAHCYP1A2CYP2D6OPRD1ALDH1A1
SCHEMBL1798600 0.82 NPC1 (0.48) MAPT
Hydrochloric Acid SCHEMBL1803080 0.81 NPC1 (0.47) MAPT

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-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 FAAH 3325/4885KDM4E 2581/4885MAPT 689/4885

“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.