Sugi Predict

Sugi Predict / Compounds / SCHEMBL4763248

SCHEMBL4763248

SCHEMBL4763248

NC(=O)CN1CC(CCN2CC=C(c3ccc4[nH]ccc4c3)CC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ SIGMAR1 Q99720 5/20 0.35
▸ HTR1A P08908 5/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTR7 P34969 1/20 0.34

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
SCHEMBL5423282 1.00 HTR1D (0.39) HTR1DTDP1KDM4EALOX15APEX1
SCHEMBL3960010 0.89 HTR1D (0.40) HTR1DTDP1KDM4EALOX15APEX1
SCHEMBL3960016 0.89 HTR1D (0.40) HTR1DTDP1KDM4EALOX15APEX1
Hydrochloric Acid SCHEMBL27740058 0.88 HTR1D (0.39) HTR1DTDP1KDM4EALOX15APEX1
Hydrochloric Acid SCHEMBL27740057 0.88 HTR1D (0.39) HTR1DTDP1KDM4EALOX15APEX1
SCHEMBL4763284 0.85 HTR1A (0.44) HTR1DTDP1KDM4EALOX15APEX1
SCHEMBL4763276 0.85 HTR1A (0.44) HTR1DTDP1KDM4EALOX15APEX1
SCHEMBL28775840 0.83 HTR1A (0.35) HTR1DTDP1KDM4EALOX15APEX1
SCHEMBL3956623 0.81 HTR7 (0.45) KDM4EHSD17B10HTR1AMAPTDRD2
SCHEMBL3964456 0.81 HTR7 (0.45) KDM4EHSD17B10HTR1AMAPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101243075-A Novel 2,3-dihydroindole compounds LUNDBECK & CO AS H (DK) 2008-08-13 — — CN claimed
EP-1928860-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H.Lundbeck A/S (DK) 2008-06-11 — — EP claimed
WO-2007019867-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 2007-02-22 — — WO claimed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 — — US claimed
CN-101243075-A Novel 2,3-dihydroindole compounds LUNDBECK & CO AS H (DK) 2008-08-13 — — CN disclosed
EP-1928860-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H.Lundbeck A/S (DK) 2008-06-11 — — EP disclosed
WO-2007019867-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 2007-02-22 — — 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-20070043058-A1 Novel 2,3-dihydroindole compounds HTR2C, HTR2A, HTR5A HTR1D 11/4885TDP1 2615/4885KDM4E 2373/4885

“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.