Sugi Predict

Sugi Predict / Compounds / SCHEMBL3953405

SCHEMBL3953405

SCHEMBL3953405

NC(=O)CN1C[C@@H](CCN2CCN(c3cc(F)c4[nH]ccc4c3)CC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ DRD4 P21917 3/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTR1D P28221 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ DRD3 P35462 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32

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
SCHEMBL3953411 1.00 KDM4E (0.38) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
Oxalic Acid SCHEMBL3966802 0.98 KDM4E (0.37) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
Oxalic Acid SCHEMBL3966808 0.98 KDM4E (0.37) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL3956623 0.85 HTR7 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL3956617 0.85 HTR7 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL3964456 0.85 HTR7 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL3960355 0.85 HTR7 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL3965460 0.85 HTR7 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL3960359 0.85 HTR7 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
Oxalic Acid SCHEMBL3961681 0.83 HTR7 (0.44) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10

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
US-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 — — US claimed
CN-101243075-A Novel 2,3-dihydroindole compounds LUNDBECK & CO AS H (DK) 2008-08-13 — — CN claimed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 — — US claimed
US-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 — — US disclosed
US-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 — — US disclosed
CN-101243075-A Novel 2,3-dihydroindole compounds LUNDBECK & CO AS H (DK) 2008-08-13 — — CN disclosed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 — — US disclosed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 — — 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-20070043058-A1 Novel 2,3-dihydroindole compounds HTR2C, HTR2A, HTR5A KDM4E 2373/4885ALDH1A1 506/4885MAPT 1232/4885

“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.