Sugi Predict

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SCHEMBL4877185

SCHEMBL4877185

Brc1ncccc1OCCN1CCN(C2=COC(C3=CC=CCC3)=CO2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ ABCB1 P08183 2/20 0.33
▸ HTR1A P08908 3/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ DRD1 P21728 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ DRD5 P21918 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 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
SCHEMBL4871961 0.89 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ABCB1HTR1A
SCHEMBL4877091 0.89 HTR1A (0.35) SLC6A2SLC6A4SLC6A3ABCB1HTR1A
SCHEMBL7130709 0.84 L3MBTL1 (0.41) ABCB1HTR1ADRD2DRD1DRD3
SCHEMBL7127097 0.82 DRD2 (0.43) HTR1ADRD2DRD1DRD3HTR2A
SCHEMBL7125207 0.80 KDM4E (0.47) HTR1ADRD2DRD1DRD3HTR2A
SCHEMBL7128466 0.80 L3MBTL1 (0.47) HTR1ADRD2DRD3HTR2AMAPT
SCHEMBL7128136 0.80 ALDH1A1 (0.42) HTR1ADRD2HTR2A
SCHEMBL7121423 0.79 ALDH1A1 (0.36) SLC6A4HTR1ADRD2DRD1DRD3
SCHEMBL7123074 0.79 LMNA (0.38) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL7127138 0.78 HTR1A (0.44) HTR1ADRD2DRD1DRD3HTR2A

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
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 — — US claimed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 — — US claimed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 — — EP claimed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 — — US claimed
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 — — US disclosed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 — — US disclosed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 — — 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 (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-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A SLC6A2 270/4885SLC6A4 182/4885SLC6A3 60/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C SLC6A2 202/4885SLC6A4 147/4885SLC6A3 49/4885

“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.