SCHEMBL484891

SCHEMBL484891

OCCC1(CCO)CCCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 5/20 0.51
GAA P10253 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
ALDH1A1 P00352 4/20 0.49
NPFFR1 Q9GZQ6 1/20 0.48
NPFFR2 Q9Y5X5 1/20 0.48
CCR3 P51677 1/20 0.48
TSHR P16473 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 2/20 0.47
PPARG P37231 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
SCHEMBL2200897 0.94 OPRL1 (0.58) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL16579984 0.88 KMT2A (0.65) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL4691043 0.85 CYP3A4 (0.55) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL3316254 0.84 OPRL1 (0.55) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL14377717 0.83 ALDH1A1 (0.57) MEN1KMT2ACYP3A4POLBGAA
SCHEMBL484761 0.81 NPFFR1 (0.53) OPRL1CYP3A4HSD17B10POLBSIGMAR1
SCHEMBL6999779 0.81 POLB (0.55) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL18123311 0.80 POLB (0.65) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL2695038 0.80 OPRL1 (0.61) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL28911881 0.78 ALDH1A1 (0.68) MEN1KMT2APOLBGAAALDH1A1

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 OPRL1 138/4885MEN1 901/4885KMT2A 2136/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN OPRL1 138/4885MEN1 901/4885KMT2A 2136/4885

“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.