SCHEMBL7215973

SCHEMBL7215973

CC(=O)Nc1cccc2c1CCC2COS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.43
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CRBN Q96SW2 1/20 0.37
ADRA1A P35348 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
MAOA P21397 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC18A3 Q16572 1/20 0.34

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
SCHEMBL7215968 0.84 ADRA2A (0.46) ADRA2AMTNR1AMTNR1BNPC1RAB9A
SCHEMBL7216117 0.76 MTNR1A (0.50) ADRA2AMTNR1AMTNR1BNPC1RAB9A
SCHEMBL1356196 0.74 ADRA2A (0.52) ADRA2ANPC1RAB9ACRBNKMT2A
SCHEMBL28048494 0.72 ADRA2A (0.51) ADRA2ANPC1RAB9ACRBNKMT2A
SCHEMBL28048491 0.72 ADRA2A (0.51) ADRA2ANPC1RAB9ACRBNKMT2A
SCHEMBL6978852 0.71 CA2 (0.45) MTNR1AMTNR1BADRA1AMAOA
SCHEMBL14143008 0.71 CA2 (0.45) MTNR1AMTNR1BADRA1AMAOA
SCHEMBL17891712 0.70 KDM4C (0.45)
Hydrochloric Acid SCHEMBL7324843 0.68 ADRA2A (0.45) ADRA2ANPC1RAB9AKMT2AMEN1
SCHEMBL8669264 0.68 NPC1 (0.44) ADRA2AMTNR1AMTNR1BNPC1RAB9A

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-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-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 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 (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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ADRA2A 37/4885MTNR1A 42/4885MTNR1B 72/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ADRA2A 37/4885MTNR1A 42/4885MTNR1B 72/4885

“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.