Sugi Predict

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SCHEMBL2371290

SCHEMBL2371290

CCCNn1c(C)c(C(=O)NC(c2ccccc2F)C2CCC2)c2cnccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 2/20 0.40
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ TSHR P16473 1/20 0.32
▸ TRPV1 Q8NER1 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ DBF4 Q9UBU7 1/20 0.32
▸ ROCK2 O75116 2/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31

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
SCHEMBL2371286 0.86 CYP2C9 (0.44) TACR3TRPV1ROCK2
SCHEMBL2370978 0.85 RIPK1 (0.41) TACR3TRPV1CDK2ROCK2
SCHEMBL2370285 0.84 ROCK2 (0.39) TACR3TRPV1ROCK2
SCHEMBL12301416 0.82 CYP2C9 (0.47) TACR3TRPV1ROCK2
SCHEMBL2370469 0.79 AKT1 (0.45) TACR3TRPV1CDK2ROCK2
SCHEMBL2370709 0.79 CYP2C9 (0.45) TACR3TRPV1ROCK2
SCHEMBL2370656 0.76 CYP2C9 (0.47) TACR3TRPV1ROCK2
SCHEMBL2370407 0.76 TRPV1 (0.47) TACR3CYP3A4TSHRTRPV1TP53
SCHEMBL6856875 0.75 ROCK2 (0.41) POLBROCK2
SCHEMBL7955549 0.75 TACR3 (0.38) TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US claimed
WO-2011110183-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — WO claimed
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 — — US disclosed
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 — — US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US disclosed
WO-2011110183-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — WO disclosed
WO-2011110183-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — 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 (2 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-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, KCND3 TACR3 12/4885GAA 741/4885NPC1 541/4885
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists KCNQ3, KCNK3, KCND3 TACR3 12/4885GAA 741/4885NPC1 541/4885

“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.