SCHEMBL7214728

SCHEMBL7214728

CCCOc1cccc2c1CC(CN1CC=C(c3c[nH]c4cc(Cl)ccc34)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.45
SLC6A4 P31645 6/20 0.45
HTR1D P28221 1/20 0.45
DRD2 P14416 4/20 0.44
HTR2A P28223 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL7214724 0.88 HTR1A (0.46) HTR1ASLC6A4HTR1DDRD2HTR2A
SCHEMBL7214617 0.85 DRD2 (0.46) HTR1ASLC6A4HTR1DDRD2HTR2A
SCHEMBL7216384 0.84 HTR1A (0.45) HTR1ASLC6A4HTR1DDRD2HTR2A
SCHEMBL7214490 0.84 OPRM1 (0.58) HTR1ASLC6A4HTR1DDRD2HTR2A
SCHEMBL7213997 0.82 OPRM1 (0.48) HTR1ASLC6A4HTR1DDRD2HTR2A
SCHEMBL7511639 0.81 DRD2 (0.45) HTR1ASLC6A4DRD2HTR2AOPRM1
SCHEMBL7220798 0.81 HTR1D (0.48) HTR1ASLC6A4HTR1DDRD2HTR2A
Oxalic Acid SCHEMBL7220896 0.79 OPRM1 (0.55) HTR1ASLC6A4HTR1DDRD2HTR2A
SCHEMBL7220198 0.77 HTR1D (0.47) HTR1ASLC6A4HTR1DDRD2HTR2A
SCHEMBL7213855 0.76 HTR1A (0.48) HTR1AHTR1DDRD2HTR2AOPRM1

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 5/4885SLC6A4 40/4885HTR1D 4/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR1A 5/4885SLC6A4 40/4885HTR1D 4/4885

“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.