SCHEMBL2225282

SCHEMBL2225282

CN1CCC(CN)(c2coc(-c3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
TACR1 P25103 1/20 0.37
KCNH2 Q12809 1/20 0.37
OPRM1 P35372 2/20 0.37
CXCR1 P25024 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HTR6 P50406 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
P2RX7 Q99572 1/20 0.35
AKT2 P31751 1/20 0.35
GSK3B P49841 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6974144 0.89 OPRM1 (0.36) OPRM1HRH4HDAC1HDAC8HDAC6
SCHEMBL2220914 0.88 SIGMAR1 (0.40) SLC6A4SLC6A3TACR1KCNH2OPRM1
SCHEMBL14672193 0.86 DRD2 (0.30)
SCHEMBL2226004 0.78 OPRM1 (0.54) OPRM1CXCR1HRH4NPSR1PDE4B
SCHEMBL2223400 0.76 GFER (0.45) HRH4HTR6HRH3NPC1LMNA
SCHEMBL5166600 0.75 SLC6A4 (0.64) SLC6A4SLC6A3TACR1KCNH2OPRM1
SCHEMBL2228126 0.65 HDAC1 (0.41) HDAC1HDAC8HDAC6NPC1LMNA
SCHEMBL8061949 0.65 OPRM1 (0.53) SLC6A4SLC6A3TACR1KCNH2OPRM1
SCHEMBL16565548 0.64 P2RX7 (0.52) SLC6A4SLC6A3TACR1KCNH2OPRM1
SCHEMBL31210281 0.64 OPRM1 (0.59) SLC6A4SLC6A3OPRM1P2RX7LMNA

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 SLC6A4 2485/4885SLC6A3 1407/4885TACR1 948/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY SLC6A4 2485/4885SLC6A3 1407/4885TACR1 948/4885

“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.