SCHEMBL2549354

SCHEMBL2549354

NNC(=O)C1CCC(c2cccc(F)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.51
DRD2 P14416 9/20 0.51
DRD4 P21917 9/20 0.51
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 5/20 0.38
PLAU P00749 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
VCP P55072 1/20 0.36
SYK P43405 1/20 0.36
CNR2 P34972 2/20 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
SCHEMBL2549353 1.00 HTR1A (0.51) HTR1ADRD2DRD4HPGDNPC1
SCHEMBL2542224 0.83 DRD2 (0.52) HTR1ADRD2DRD4HPGDKCNH2
SCHEMBL2545864 0.83 HPGD (0.44) HTR1ADRD2DRD4HPGDKCNH2
SCHEMBL7711110 0.83 HPGD (0.44) HTR1ADRD2DRD4HPGDKCNH2
SCHEMBL2545867 0.83 HPGD (0.44) HTR1ADRD2DRD4HPGDKCNH2
SCHEMBL2542227 0.83 DRD2 (0.52) HTR1ADRD2DRD4HPGDKCNH2
SCHEMBL2544973 0.82 PDE4D (0.47) HTR1ADRD2DRD4HPGDNPC1
SCHEMBL2544977 0.82 PDE4D (0.47) HTR1ADRD2DRD4HPGDNPC1
SCHEMBL12261621 0.80 HTR1A (0.46) HTR1ADRD2DRD4HPGDNPC1
SCHEMBL2543599 0.80 HTR1A (0.53) HTR1ADRD2DRD4HPGDNPC1

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-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
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 HTR1A 26/4885DRD2 170/4885DRD4 212/4885

“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.