SCHEMBL2545447

SCHEMBL2545447

CCOC(=O)C1CCC(c2cccc(C(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 5/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2545445 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G
SCHEMBL2545504 0.84 HTR1A (0.51) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G
SCHEMBL2545502 0.84 HTR1A (0.51) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G
SCHEMBL2543463 0.82 MAPT (0.43) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G
SCHEMBL2542054 0.82 MAPT (0.48) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G
SCHEMBL2542073 0.82 HTR1A (0.43) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G
SCHEMBL2543466 0.82 MAPT (0.43) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G
SCHEMBL2544265 0.82 KDM4E (0.46) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G
SCHEMBL2544267 0.82 KDM4E (0.46) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G
SCHEMBL2542057 0.82 MAPT (0.48) ALDH1A1MAPTKDM4EAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 EP disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 US disclosed
EP-2560975-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-27 EP disclosed
WO-2011131596-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 WO disclosed
WO-2011131596-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 WO disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 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-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR ALDH1A1 682/4885MAPT 4616/4885KDM4E 3272/4885

“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.