SCHEMBL1163435

SCHEMBL1163435

COc1c(-c2ccccc2)cc(F)c2[nH]cc(CCO)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
CYP2D6 P10635 1/20 0.38
PDE4B Q07343 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
HTR1A P08908 1/20 0.36
BACE1 P56817 2/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
FAAH O00519 1/20 0.33
PTGS2 P35354 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33

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
SCHEMBL12595705 0.87 MTNR1A (0.43) MTNR1AMTNR1BBACE1FAAHPTGS2
SCHEMBL1163197 0.84 MTNR1A (0.42) MTNR1AMTNR1BPDE4BPDE4APDE4C
SCHEMBL12595701 0.83 MTNR1A (0.37) MTNR1AMTNR1BPDE4BPDE4APDE4C
SCHEMBL17147642 0.82 MTNR1A (0.39) MTNR1AMTNR1BPDE4BPDE4APDE4C
SCHEMBL1163546 0.77 MTNR1A (0.41) MTNR1AMTNR1BPDE4BPDE4APDE4C
SCHEMBL1164344 0.72 HTR1A (0.48) MTNR1AMTNR1BCYP2D6HTR1ANPC1
SCHEMBL1163402 0.71 HTR1A (0.48) MTNR1AMTNR1BCYP2D6HTR1AHTR2A
SCHEMBL29546745 0.66 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL29098923 0.66 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL1163118 0.65 HTR6 (0.40) MTNR1AMTNR1BHTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MTNR1A 65/4885MTNR1B 36/4885CYP2D6 126/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MTNR1A 65/4885MTNR1B 36/4885CYP2D6 126/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MTNR1A 65/4885MTNR1B 36/4885CYP2D6 126/4885

“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.