SCHEMBL7220841

SCHEMBL7220841

CC(=O)Nc1cccc2c1CC(CN1CCC(c3c[nH]c4cc(Cl)ccc34)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.43
HTR1D P28221 3/20 0.43
HTR1F P30939 2/20 0.43
HTR1B P28222 2/20 0.43
DRD2 P14416 4/20 0.42
HTR2A P28223 3/20 0.42
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
CCR2 P41597 6/20 0.41
SLC18A3 Q16572 1/20 0.41
DRD1 P21728 2/20 0.41
HTR2C P28335 2/20 0.41
DRD3 P35462 2/20 0.41
HTR6 P50406 2/20 0.41
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CREBBP Q92793 1/20 0.39

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 SCHEMBL7515188 0.98 OPRM1 (0.42) HTR1AHTR1DHTR1FHTR1BDRD2
SCHEMBL28743035 0.86 SLC18A3 (0.48) HTR1AHTR1DHTR1FHTR1BOPRM1
SCHEMBL7220850 0.84 HTR1D (0.54) HTR1AHTR1DHTR1FHTR1BDRD2
Oxalic Acid SCHEMBL7215994 0.82 OPRM1 (0.53) HTR1ADRD2HTR2AOPRM1OPRK1
SCHEMBL7216028 0.82 OPRM1 (0.56) HTR1ADRD2HTR2AOPRM1OPRK1
Oxalic Acid SCHEMBL7216015 0.81 DRD2 (0.41) HTR1ADRD2HTR2AOPRM1OPRK1
SCHEMBL7220798 0.81 HTR1D (0.48) HTR1AHTR1DHTR1FDRD2HTR2A
SCHEMBL7511636 0.80 OPRM1 (0.43) HTR1ADRD2HTR2AOPRM1OPRK1
SCHEMBL7511639 0.79 DRD2 (0.45) HTR1ADRD2HTR2AOPRM1OPRK1
SCHEMBL7213713 0.76 APP (0.51) HTR1ADRD2HTR2AOPRM1OPRK1

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 HTR1A 5/4885HTR1D 4/4885HTR1F 59/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR1A 5/4885HTR1D 4/4885HTR1F 59/4885

“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.