SCHEMBL4828466

SCHEMBL4828466

O=C1NCCCN1C1(CO)CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
TSHR P16473 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.44
CYP3A4 P08684 5/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 5/20 0.43
CYP2D6 P10635 7/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
CHRM2 P08172 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6160862 0.82 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1TSHR
SCHEMBL8940524 0.73 DRD2 (0.48) OPRL1OPRM1OPRD1OPRK1TSHR
SCHEMBL17608847 0.72 LTA4H (0.62) OPRL1OPRM1OPRD1OPRK1TSHR
SCHEMBL29024011 0.71 SIGMAR1 (0.54) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL21354221 0.71 SIGMAR1 (0.54) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL1971476 0.70 SIGMAR1 (0.53) OPRL1TSHRALDH1A1CYP2C19MEN1
SCHEMBL1269135 0.70 OPRL1 (0.58) OPRL1OPRM1OPRD1TSHRALDH1A1
SCHEMBL18123311 0.70 POLB (0.65) OPRL1OPRM1OPRD1TSHRALDH1A1
SCHEMBL18425486 0.69 SIGMAR1 (0.60) OPRL1OPRM1POLBCYP3A4HSD17B10
SCHEMBL3647086 0.69 LTA4H (0.61) OPRL1OPRM1OPRD1OPRK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423048-B2 Compounds for treating fundic disaccomodation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-09 US disclosed
US-7358239-B2 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-15 US disclosed
US-7081453-B2 Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-25 US disclosed
US-20060142318-A1 Compounds for treating fundic disaccomodation VAN EMELEN KRISTOF 2006-06-29 US disclosed
EP-1296987-B1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA NV (BE) 2005-12-07 EP disclosed
US-20050159406-A1 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives DE BRUYN MARCEL F L (BE) 2005-07-21 US disclosed
US-6900222-B1 Pyrrolidinyl, piperdinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-31 US disclosed
EP-1187831-B1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2004-10-13 EP disclosed
US-20040019051-A1 Compounds for treating impaired fundic relaxation JANSSEN-CILAG S.A. (ES) 2004-01-29 US disclosed
EP-1296987-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-02 EP disclosed
EP-1187831-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-20 EP disclosed
WO-2001098306-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2001-12-27 WO disclosed
WO-2000075137-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-12-14 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 (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-20050159406-A1 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives HRH2, CBR1, CBR3 OPRL1 83/4885OPRM1 265/4885OPRD1 97/4885
US-20040019051-A1 Compounds for treating impaired fundic relaxation CNR2, CNR1, CBR1 OPRL1 414/4885OPRM1 1177/4885OPRD1 142/4885
US-20060142318-A1 Compounds for treating fundic disaccomodation ALK, ADORA1, CHRM2 OPRL1 291/4885OPRM1 777/4885OPRD1 322/4885

“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.