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Sugi Predict / Compounds / SCHEMBL4875187

SCHEMBL4875187

SCHEMBL4875187

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ F12 P00748 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33

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
SCHEMBL4871728 0.89 DRD2 (0.42) DRD2DRD3HSD17B10TSHRTP53
SCHEMBL4876083 0.79 DRD2 (0.42) DRD2DRD3HSD17B10TSHRTP53
SCHEMBL4877420 0.79 HTR1A (0.47) HTR1A
SCHEMBL4871786 0.77 KMT2A (0.50) DRD2DRD3HSD17B10TSHRTP53
SCHEMBL4871732 0.77 DRD2 (0.40) DRD2DRD3HSD17B10TSHRTP53
SCHEMBL4872373 0.76 ALDH1A1 (0.43) HSD17B10TSHRALDH1A1TDP1CYP3A4
SCHEMBL4874631 0.76 DRD2 (0.42) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL4874829 0.76 DRD2 (0.39) DRD2DRD3HSD17B10TSHRTP53
SCHEMBL4874991 0.76 HSD17B10 (0.38) DRD2DRD3HSD17B10TSHRTP53
SCHEMBL4871876 0.75 DRD2 (0.39) DRD2DRD3HSD17B10TSHRTP53

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-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
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 DRD2 20/4885DRD3 27/4885HSD17B10 371/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C DRD2 23/4885DRD3 29/4885HSD17B10 350/4885

“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.