Sugi Predict

Sugi Predict / Compounds / SCHEMBL2149238

SCHEMBL2149238

SCHEMBL2149238

CC[C@H](NC(=O)c1c(C)n(C(C)C)c(=O)c2ccccc12)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 19/20 0.51
▸ TACR2 P21452 7/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL2154030 0.86 TACR3 (0.53) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2148921 0.85 TACR3 (0.52) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2154665 0.84 TACR3 (0.49) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL1717011 0.84 TACR3 (0.51) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2154650 0.83 TACR3 (0.50) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2155254 0.83 TACR3 (0.50) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2154064 0.82 ALDH1A1 (0.49) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2154917 0.82 TACR3 (0.47) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL7950056 0.82 TACR3 (0.49) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL1366629 0.82 PPARG (0.52) TACR3TACR2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342182-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2011-07-13 — — EP claimed
EP-2342182-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-11-14 — — EP disclosed
US-8242134-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-08-14 — — US disclosed
US-8242134-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-08-14 — — US disclosed
EP-2342182-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2011-07-13 — — EP disclosed
US-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-25 — — US disclosed
US-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-25 — — US disclosed
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 — — WO 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-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 TACR3 34/4885TACR2 39/4885CYP1A2 1561/4885

“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.