Sugi Predict

Sugi Predict / Compounds / SCHEMBL3965962

SCHEMBL3965962

SCHEMBL3965962

CNC(=O)CN1C[C@@H](CCN2CCN(c3cc4cc[nH]c4cn3)CC2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ PARP1 P09874 2/20 0.34
▸ PARP2 Q9UGN5 2/20 0.34
▸ JUN P05412 3/20 0.33
▸ MAPK8 P45983 3/20 0.33
▸ MAPK9 P45984 3/20 0.33
▸ DRD3 P35462 3/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ INSR P06213 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
SCHEMBL4206216 1.00 DRD2 (0.37) DRD2HTR2AHTR1AKDM4EALDH1A1
Oxalic Acid SCHEMBL3958701 0.98 DRD2 (0.36) DRD2HTR2AHTR1AKDM4EALDH1A1
Oxalic Acid SCHEMBL3958704 0.98 DRD2 (0.36) DRD2HTR2AHTR1AKDM4EALDH1A1
SCHEMBL3959690 0.90 DRD2 (0.37) DRD2HTR2AHTR1AKDM4EALDH1A1
SCHEMBL3958935 0.90 DRD2 (0.37) DRD2HTR2AHTR1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3957825 0.89 DRD2 (0.36) DRD2HTR2AHTR1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3957821 0.89 DRD2 (0.36) DRD2HTR2AHTR1AKDM4EALDH1A1
SCHEMBL3966003 0.86 HTR7 (0.44) DRD2HTR2AHTR1AKDM4EALDH1A1
SCHEMBL3965996 0.86 HTR7 (0.44) DRD2HTR2AHTR1AKDM4EALDH1A1
Oxalic Acid SCHEMBL3964749 0.84 HTR7 (0.42) DRD2HTR2AHTR1AKDM4EALDH1A1

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 DRD2 24/4885HTR2A 2/4885HTR1A 4/4885

“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.