SCHEMBL12295378

SCHEMBL12295378

C=C1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.59
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
CHEK1 O14757 1/20 0.43
HRH3 Q9Y5N1 3/20 0.40
POLB P06746 2/20 0.40
MLYCD O95822 1/20 0.39
PANK3 Q9H999 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
AR P10275 1/20 0.37
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL2384959 0.83 KDM4E (0.80) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL376491 0.81 KDM4E (0.59) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL154178 0.79 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL7402909 0.79 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL149656 0.78 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL139427 0.78 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL15939015 0.77 KDM4E (0.54) KDM4ETP53CHRNA10CHRNA9CHEK1
Propene SCHEMBL7716012 0.76 KDM4E (0.50) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL231077 0.76 KDM4E (0.63) KDM4ETP53CHRNA10CHRNA9DRD2
SCHEMBL6956744 0.76 KDM4E (0.63) KDM4ETP53CHRNA10CHRNA9DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 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-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 KDM4E 4439/4885TP53 2233/4885CHRNA10 4873/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 KDM4E 2886/4885TP53 4754/4885CHRNA10 222/4885

“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.