SCHEMBL2224580

SCHEMBL2224580

CC(CN)c1cn(C)c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NR1H3 Q13133 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H2 P55055 1/20 0.37
PDE10A Q9Y233 3/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
MC4R P32245 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 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
SCHEMBL6976337 0.84 HPGD (0.38) PDE3BPDE3ANR1H3NPC1RAB9A
SCHEMBL25147202 0.82 MC4R (0.42) PDE3BPDE3ANR1H3NPC1RAB9A
SCHEMBL2278129 0.75 PDE3B (0.37) PDE3BPDE3ANR1H3NPC1RAB9A
SCHEMBL5376023 0.71 NPC1 (0.44) PDE3BPDE3ANR1H3NPC1RAB9A
SCHEMBL10099635 0.70 NR1H3 (0.47) PDE3BPDE3ANR1H3NPC1RAB9A
SCHEMBL2228387 0.70 HPGDS (0.46) TAAR1PDE3BPDE3ATSHRALDH1A1
SCHEMBL8666901 0.69 PTGS2 (0.42) PDE3BPDE3ANR1H3NR1H2KMT2A
SCHEMBL724249 0.69 PDE3B (0.55) PDE3BPDE3ANR1H3NPC1RAB9A
SCHEMBL27517990 0.67 NR1H2 (0.44) PDE3BPDE3ANR1H3NPC1RAB9A
SCHEMBL27217302 0.67 BRD4 (0.47) PDE3BPDE3ANR1H3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY TAAR1 2250/4885LOXL2 156/4885PDE3B 1169/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY TAAR1 2250/4885LOXL2 156/4885PDE3B 1169/4885

“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.