SCHEMBL6912810

SCHEMBL6912810

CC1(C)CNCCN1c1ccc(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
PANK3 Q9H999 7/20 0.38
GPR119 Q8TDV5 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
GRM5 P41594 2/20 0.36
CYP11B2 P19099 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
SMO Q99835 2/20 0.36
PARP1 P09874 1/20 0.36

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
Hydrochloric Acid SCHEMBL2225995 0.99 KDM4E (0.46) KDM4EALDH1A1L3MBTL1JAK2JAK1
SCHEMBL27307778 0.80 KDM4E (0.49) KDM4EALDH1A1L3MBTL1JAK2JAK1
SCHEMBL22914744 0.78 POLB (0.46) KDM4EALDH1A1CYP11B2
SCHEMBL1471033 0.77 MAPT (0.41) KDM4EALDH1A1L3MBTL1
SCHEMBL16572374 0.77 KDM4E (0.46) KDM4EALDH1A1L3MBTL1JAK2JAK1
Hydrochloric Acid SCHEMBL4523765 0.77 POLB (0.45) KDM4EALDH1A1CYP11B2
SCHEMBL5468976 0.75 PIM1 (0.36) PIM1PIM2
SCHEMBL231983 0.74 KDM4E (0.51) KDM4EALDH1A1L3MBTL1PANK3GPR119
SCHEMBL30390836 0.74 KDM4E (0.51) KDM4EALDH1A1L3MBTL1PANK3GPR119
SCHEMBL30546299 0.74 KDM4E (0.42) KDM4EALDH1A1L3MBTL1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-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 (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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B KDM4E 2352/4885ALDH1A1 1319/4885L3MBTL1 1054/4885

“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.