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Sugi Predict / Compounds / SCHEMBL2156140

SCHEMBL2156140

SCHEMBL2156140

CCCN(C(=O)OC(C)(C)C)n1c(CBr)c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c2cccc(F)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 10/20 0.40
▸ CYP2C9 P11712 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL2156148 1.00 TACR3 (0.40) TACR3CYP2C9ALDH1A1KDM4EHTT
SCHEMBL2154827 0.91 TACR3 (0.41) TACR3CYP2C9ALDH1A1KDM4EHTT
SCHEMBL2171938 0.84 CYP2C9 (0.40) TACR3CYP2C9ALDH1A1KDM4EHTT
SCHEMBL2171945 0.84 CYP2C9 (0.40) TACR3CYP2C9ALDH1A1KDM4EHTT
SCHEMBL7948710 0.81 CYP2C9 (0.42) TACR3CYP2C9ALDH1A1OPRL1PDE2A
SCHEMBL7954548 0.79 CYP2C9 (0.46) TACR3CYP2C9ALDH1A1PDE2A
SCHEMBL2154503 0.76 CYP2C9 (0.44) TACR3CYP2C9ALDH1A1PDE2AMEN1
SCHEMBL2154497 0.76 CYP2C9 (0.44) TACR3CYP2C9ALDH1A1PDE2AMEN1
SCHEMBL11917790 0.76 CYP2C9 (0.43) TACR3CYP2C9ALDH1A1OPRL1PDE2A
SCHEMBL7950620 0.76 CYP2C9 (0.43) TACR3CYP2C9ALDH1A1OPRL1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 34/4885CYP2C9 3674/4885ALDH1A1 2399/4885

“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.