Sugi Predict

Sugi Predict / Compounds / SCHEMBL4871728

SCHEMBL4871728

SCHEMBL4871728

Cc1ccc(C#N)c(SCCN2CCN(c3ccc(C#N)c4c3OCCO4)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DRD1 P21728 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ SLC6A4 P31645 2/20 0.35

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
SCHEMBL4875187 0.89 DRD2 (0.38) DRD2DRD3TP53ALOX15TSHR
SCHEMBL4877420 0.88 HTR1A (0.47) HTR1A
SCHEMBL4876083 0.87 DRD2 (0.42) DRD2DRD3TP53ALOX15TSHR
SCHEMBL4874631 0.85 DRD2 (0.42) DRD2DRD3DRD1DRD4HTR2A
SCHEMBL4871786 0.85 KMT2A (0.50) DRD2DRD3TP53ALOX15TSHR
SCHEMBL4871732 0.84 DRD2 (0.40) DRD2DRD3TP53ALOX15TSHR
SCHEMBL4872373 0.83 ALDH1A1 (0.43) TSHRHSD17B10MEN1KMT2AMAPT
SCHEMBL4874829 0.83 DRD2 (0.39) DRD2DRD3TP53ALOX15TSHR
SCHEMBL4874991 0.83 HSD17B10 (0.38) DRD2DRD3TP53ALOX15TSHR
SCHEMBL4871876 0.82 DRD2 (0.39) DRD2DRD3TP53ALOX15TSHR

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
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 — — EP 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 DRD2 20/4885DRD3 27/4885TP53 4867/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C DRD2 23/4885DRD3 29/4885TP53 4867/4885

“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.