SCHEMBL3537215

SCHEMBL3537215

CCC(CC)NC(=O)C1=CC2(CCNCC2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRD1 P41143 5/20 0.36
CYP2D6 P10635 4/20 0.36
KCNH2 Q12809 4/20 0.36
OPRK1 P41145 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.34
OPRM1 P35372 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL3537334 0.86 OPRL1 (0.35) KCNH2OPRK1NAMPTOPRM1
SCHEMBL3538240 0.82 OPRD1 (0.45) ALDH1A1OPRD1CYP2D6KCNH2OPRK1
SCHEMBL12990833 0.81 KCNH2 (0.36) KCNH2OPRK1KDM4EHPGDLMNA
SCHEMBL12990965 0.79 OPRL1 (0.39) KCNH2LMNAPOLBOPRM1
SCHEMBL12991081 0.79 CCR2 (0.36) MEN1KMT2ANAMPT
SCHEMBL12991013 0.79 OPRL1 (0.40) ALDH1A1KCNH2KDM4ELMNAOPRM1
SCHEMBL12991021 0.79 OPRL1 (0.40) ALDH1A1KCNH2KDM4ELMNAOPRM1
SCHEMBL3539357 0.78 ATM (0.47) OPRD1OPRK1KDM4E
SCHEMBL3533276 0.77 OPRL1 (0.44) OPRD1OPRK1OPRM1
SCHEMBL1222460 0.77 OPRM1 (0.47) HTTALDH1A1CYP2D6KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
EP-2040706-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-01 EP disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
WO-2008005295-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-10 WO disclosed
WO-2008005295-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-10 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 (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-20080033002-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HTT 3195/4885ALDH1A1 2356/4885OPRD1 224/4885

“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.