SCHEMBL7214549

SCHEMBL7214549

CC(=O)N1CC(CCS(C)(=O)=O)c2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.38
▸ HSD17B3 P37058 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ CUL4A Q13619 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ NQO2 P16083 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ GOPC Q9HD26 1/20 0.33
▸ LMNA P02545 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
SCHEMBL7214556 0.82 NOTUM (0.55) NOTUMHSD17B3BRD4HTR1ADRD2
SCHEMBL28731131 0.80 NOTUM (0.37) NOTUMHSD17B3ALDH1A1TSHRMEN1
SCHEMBL28924152 0.72 BRD4 (0.37) NOTUMHSD17B3ALDH1A1TSHRMEN1
SCHEMBL7220138 0.72 NOTUM (0.43) NOTUMHSD17B3ALDH1A1TSHRMEN1
SCHEMBL7214657 0.71 NOTUM (0.45) NOTUMHSD17B3ALDH1A1MEN1KMT2A
SCHEMBL3956526 0.67 NOTUM (0.59) NOTUMHSD17B3BRD4HTR1ADRD2
SCHEMBL3956544 0.67 NOTUM (0.59) NOTUMHSD17B3BRD4HTR1ADRD2
SCHEMBL3956520 0.67 NOTUM (0.59) NOTUMHSD17B3BRD4HTR1ADRD2
SCHEMBL7220869 0.67 PRKACA (0.41) NOTUMHTR1ADRD2HTR2A
SCHEMBL7216052 0.65 NOTUM (0.56) NOTUMHSD17B3BRD4HTR1ADRD2

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-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 — — US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 — — EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 — — US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 — — US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 — — US disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 — — EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 — — WO 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-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 NOTUM 3397/4885HSD17B3 702/4885ALDH1A1 289/4885

“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.

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