Sugi Predict

Sugi Predict / Compounds / SCHEMBL2540850

SCHEMBL2540850

SCHEMBL2540850

CC(C)c1cccc([C@H]2CC[C@H](C(=O)NN)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.43
▸ DRD2 P14416 7/20 0.43
▸ DRD4 P21917 7/20 0.43
▸ KCNH2 Q12809 4/20 0.43
▸ HPGD P15428 1/20 0.41
▸ CHRNA7 P36544 1/20 0.40
▸ GRM5 P41594 1/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ F11 P03951 1/20 0.36
▸ ROCK2 O75116 3/20 0.35
▸ PRKG1 Q13976 1/20 0.35
▸ RPS6KA5 O75582 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ PKN2 Q16513 2/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ PLAU P00749 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35

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
SCHEMBL2540851 1.00 HTR1A (0.43) HTR1ADRD2DRD4KCNH2HPGD
SCHEMBL16803081 0.83 CHRNA7 (0.40) HTR1ADRD2DRD4KCNH2HPGD
SCHEMBL2542227 0.82 DRD2 (0.52) HTR1ADRD2DRD4KCNH2HPGD
SCHEMBL2542224 0.82 DRD2 (0.52) HTR1ADRD2DRD4KCNH2HPGD
SCHEMBL2609309 0.81 CHRNA7 (0.46) HTR1ADRD2DRD4KCNH2CHRNA7
SCHEMBL7711110 0.80 HPGD (0.44) HTR1ADRD2DRD4KCNH2HPGD
SCHEMBL2545864 0.80 HPGD (0.44) HTR1ADRD2DRD4KCNH2HPGD
SCHEMBL2549354 0.80 HTR1A (0.51) HTR1ADRD2DRD4KCNH2HPGD
SCHEMBL2545867 0.80 HPGD (0.44) HTR1ADRD2DRD4KCNH2HPGD
SCHEMBL2549353 0.80 HTR1A (0.51) HTR1ADRD2DRD4KCNH2HPGD

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
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
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — US 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.