SCHEMBL2524006

SCHEMBL2524006

NNC(=O)[C@@H]1CC=C(c2cccc(F)c2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.40
CDK9 P50750 7/20 0.40
RORC P51449 4/20 0.36
JAK1 P23458 2/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
LRRK2 Q5S007 1/20 0.31
PPIA P62937 1/20 0.31

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
SCHEMBL2524004 1.00 CCNT1 (0.40) CCNT1CDK9RORCJAK1P2RX7
SCHEMBL18866820 0.85 CCNT1 (0.40) CCNT1CDK9JAK1LRRK2
SCHEMBL2521073 0.85 CCNT1 (0.50) CCNT1CDK9RORC
SCHEMBL2521074 0.85 CCNT1 (0.50) CCNT1CDK9RORC
SCHEMBL2510863 0.78 KDM4E (0.51) CCNT1CDK9RORCALDH1A1MAPT
SCHEMBL2510864 0.78 KDM4E (0.51) CCNT1CDK9RORCALDH1A1MAPT
SCHEMBL2523997 0.78 CCNT1 (0.37) CCNT1CDK9JAK1L3MBTL1GAA
SCHEMBL2523991 0.78 CCNT1 (0.37) CCNT1CDK9JAK1L3MBTL1GAA
SCHEMBL2519112 0.76 GRM1 (0.41) CCNT1CDK9RORC
SCHEMBL2519111 0.76 GRM1 (0.41) CCNT1CDK9RORC

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 3334/4885RORC 1454/4885

“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.