SCHEMBL7214663

SCHEMBL7214663

C1=C(c2c[nH]c3ccccc23)CCN(CC2CCc3ccccc32)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
LMNA P02545 3/20 0.61
ALOX15 P16050 3/20 0.61
HTR1A P08908 10/20 0.59
DRD2 P14416 6/20 0.59
HTR2A P28223 4/20 0.59
HTT P42858 2/20 0.59
SLC6A4 P31645 3/20 0.53
POLB P06746 1/20 0.53
HTR6 P50406 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
TDO2 P48775 1/20 0.48

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
SCHEMBL7214414 0.86 HTR1A (0.62) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL7219553 0.82 KDM4E (0.67) KDM4ELMNAALOX15HTR1ADRD2
Oxalic Acid SCHEMBL7220302 0.81 HTR1A (0.56) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL7121698 0.81 HTR1A (0.71) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL7705774 0.80 HTR1D (0.55) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL7220152 0.80 OPRM1 (0.51) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL7213620 0.79 HTR1D (0.56) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL7214517 0.79 DRD2 (0.60) HTR1ADRD2HTR2ASLC6A4HTR6
SCHEMBL7220408 0.77 DRD2 (0.53) HTR1ADRD2SLC6A4HTR6
SCHEMBL4469442 0.77 KDM4E (0.76) KDM4ELMNAALOX15HTR1ADRD2

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 KDM4E 1773/4885LMNA 4625/4885ALOX15 2485/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 KDM4E 1773/4885LMNA 4625/4885ALOX15 2485/4885

“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.