SCHEMBL4832069

SCHEMBL4832069

O=C1NCCCN1C1(CO)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDA P32320 2/20 0.36
EHMT2 Q96KQ7 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6160467 0.74 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL6158921 0.70 CA2 (0.36) CDA
SCHEMBL6159543 0.69 PPIA (0.34)
SCHEMBL6946153 0.69 CYP1A2 (0.33) SMN1; SMN2
SCHEMBL5888096 0.67 OPRM1 (0.33)
SCHEMBL4827222 0.67 SMN1; SMN2 (0.40) CDASMN1; SMN2
SCHEMBL6698499 0.65 KDM4E (0.31)
SCHEMBL16771540 0.65 EHMT2 (0.38) EHMT2
SCHEMBL7976916 0.62
SCHEMBL6160461 0.61 SMN1; SMN2 (0.31) SMN1; SMN2

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 CDA 4753/4885EHMT2 2881/4885SMN1; SMN2 2742/4885
US-20040019051-A1 Compounds for treating impaired fundic relaxation CNR2, CNR1, CBR1 CDA 3162/4885EHMT2 3429/4885SMN1; SMN2 2094/4885
US-20060142318-A1 Compounds for treating fundic disaccomodation ALK, ADORA1, CHRM2 CDA 3826/4885EHMT2 3009/4885SMN1; SMN2 2329/4885

“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.