SCHEMBL7219370

SCHEMBL7219370

CC(=O)Nc1ccc2c(c1)C(CCCC(=O)O)CC2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.70
NQO2 P16083 13/20 0.47
MTNR1B P49286 13/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL7219800 0.93 MTNR1A (0.73) MTNR1ANQO2MTNR1BMEN1KMT2A
SCHEMBL7220756 0.85 MTNR1A (0.69) MTNR1ANQO2MTNR1B
SCHEMBL8669494 0.82 MTNR1A (0.59) MTNR1ANQO2MTNR1BMEN1KMT2A
SCHEMBL5335761 0.82 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL8435177 0.80 MTNR1A (0.69) MTNR1ANQO2MTNR1BCYP1A2ADRA2A
SCHEMBL6812318 0.79 MTNR1A (0.67) MTNR1ANQO2MTNR1B
SCHEMBL8433848 0.79 MTNR1A (0.67) MTNR1ANQO2MTNR1B
SCHEMBL6817116 0.78 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2
SCHEMBL5339655 0.76 MTNR1A (0.86) MTNR1ANQO2MTNR1B
SCHEMBL7066927 0.75 MTNR1A (0.62) MTNR1ANQO2MTNR1BMEN1KMT2A

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 MTNR1A 42/4885NQO2 830/4885MTNR1B 72/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 MTNR1A 42/4885NQO2 830/4885MTNR1B 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.