SCHEMBL484761

SCHEMBL484761

O=C(O)CC1(CC(=O)O)CCCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.53
NPFFR2 Q9Y5X5 1/20 0.53
CYP2D6 P10635 9/20 0.52
TSHR P16473 3/20 0.52
OPRL1 P41146 1/20 0.51
CHRM2 P08172 3/20 0.51
CHRM3 P20309 1/20 0.51
CYP3A4 P08684 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL2524338 0.94 CYP2D6 (0.57) NPFFR1NPFFR2CYP2D6TSHROPRL1
Hydrochloric Acid SCHEMBL4481783 0.92 POLB (0.58) NPFFR1NPFFR2CYP2D6TSHROPRL1
SCHEMBL3318898 0.84 OPRL1 (0.54) NPFFR1NPFFR2CYP2D6TSHROPRL1
SCHEMBL485328 0.83 SIGMAR1 (0.55) NPFFR1NPFFR2CYP2D6CYP3A4ALDH1A1
SCHEMBL14027004 0.83 CYP2D6 (0.50) NPFFR1NPFFR2CYP2D6TSHROPRL1
SCHEMBL484891 0.81 OPRL1 (0.53) NPFFR1NPFFR2CYP2D6TSHROPRL1
SCHEMBL4023771 0.80 OPRL1 (0.59) CYP2D6TSHROPRL1CHRM2CHRM3
SCHEMBL16579978 0.79 CYP2D6 (0.55) CYP2D6TSHROPRL1CHRM2CHRM3
SCHEMBL6783749 0.79 OPRL1 (0.58) CYP2D6TSHROPRL1CHRM2CHRM3
SCHEMBL9049592 0.78 CYP2D6 (0.55) CYP2D6TSHROPRL1CYP3A4ALDH1A1

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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN NPFFR1 92/4885NPFFR2 332/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN NPFFR1 92/4885NPFFR2 332/4885CYP2D6 1926/4885

“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.