SCHEMBL7213646

SCHEMBL7213646

CNC(=O)N1CC(CCN2CC=C(c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.52
DRD2 P14416 10/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR1A P08908 9/20 0.44
SLC6A4 P31645 9/20 0.44
HTR7 P34969 9/20 0.44
HTR6 P50406 9/20 0.44

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
Oxalic Acid SCHEMBL7213601 0.98 HTR1D (0.51) HTR1DDRD2OPRM1OPRK1HTR1A
Hydrochloric Acid SCHEMBL6676940 0.92 HTR1D (0.54) HTR1DDRD2OPRM1OPRK1HTR1A
Hydrochloric Acid SCHEMBL6676944 0.92 HTR1D (0.54) HTR1DDRD2OPRM1OPRK1HTR1A
SCHEMBL5398831 0.92 HTR1D (0.54) HTR1DDRD2OPRM1OPRK1HTR1A
SCHEMBL5386204 0.92 HTR1D (0.54) HTR1DDRD2OPRM1OPRK1HTR1A
SCHEMBL544948 0.92 HTR1D (0.54) HTR1DDRD2OPRM1OPRK1HTR1A
SCHEMBL7213856 0.91 HTR1D (0.50) HTR1DDRD2HTR1ASLC6A4HTR7
SCHEMBL7219780 0.90 HTR1D (0.51) HTR1DDRD2HTR1ASLC6A4HTR7
SCHEMBL7215901 0.87 HTR1D (0.51) HTR1DDRD2OPRM1OPRK1HTR1A
SCHEMBL7213933 0.87 HTR1D (0.51) HTR1DDRD2OPRM1OPRK1HTR1A

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 6 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

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 HTR1D 4/4885DRD2 14/4885OPRM1 34/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR1D 4/4885DRD2 14/4885OPRM1 34/4885

“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.