SCHEMBL2523997

SCHEMBL2523997

NNC(=O)[C@@H]1CC=C(c2cccc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
JAK1 P23458 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ABCC9 O60706 2/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ11 Q14654 2/20 0.35
KCNJ8 Q15842 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
OGG1 O15527 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 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
SCHEMBL2523991 1.00 CCNT1 (0.37) CCNT1CDK9JAK1MEN1KMT2A
SCHEMBL2522495 0.84 CDK9 (0.47) CCNT1CDK9MEN1KMT2ARAB9A
SCHEMBL2522501 0.84 CDK9 (0.47) CCNT1CDK9MEN1KMT2ARAB9A
SCHEMBL18866820 0.78 CCNT1 (0.40) CCNT1CDK9JAK1
SCHEMBL2524006 0.78 CCNT1 (0.40) CCNT1CDK9JAK1L3MBTL1GAA
SCHEMBL2524004 0.78 CCNT1 (0.40) CCNT1CDK9JAK1L3MBTL1GAA
SCHEMBL2506781 0.77 KDM4E (0.49) CCNT1CDK9MEN1KMT2ARAB9A
SCHEMBL2506784 0.77 KDM4E (0.49) CCNT1CDK9MEN1KMT2ARAB9A
SCHEMBL2527562 0.73 ADORA2A (0.42) CCNT1CDK9MEN1KMT2ARAB9A
SCHEMBL2527559 0.73 ADORA2A (0.42) CCNT1CDK9MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
EP-2558467-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
WO-2011128265-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 US 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-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES OXTR, AVPR1B, AVPR1A CCNT1 1550/4885CDK9 3334/4885JAK1 415/4885

“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.