SCHEMBL6977832

SCHEMBL6977832

c1ccc2c(CN3CCCCC3)n[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
JAK2 O60674 1/20 0.51
RAB9A P51151 1/20 0.51
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CHRNA7 P36544 2/20 0.47
CYP2D6 P10635 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.43
PDPK1 O15530 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL1514899 0.86 SIGMAR1 (0.49) KDM4ELMNAJAK2CYP2D6BCHE
SCHEMBL18080912 0.86 HTR6 (0.56) KDM4ELMNACYP2D6BCHEACHE
SCHEMBL20012646 0.86 KMT2A (0.45) KDM4ECHRNA7CYP2D6BCHEACHE
SCHEMBL8630974 0.86 ACHE (0.57) KDM4EHTTLMNACDK5CDK5R1
SCHEMBL8301243 0.83 ACHE (0.50) RAB9ABCHEACHEALDH1A1
SCHEMBL8627719 0.83 DRD4 (0.58) KDM4EHTTLMNAMAPTALDH1A1
SCHEMBL20008970 0.82 PARP1 (0.42) KDM4ECYP2D6BCHEACHEPDPK1
SCHEMBL8797245 0.81 POLB (0.62) KDM4EHTTLMNAALDH1A1KMT2A
SCHEMBL8797634 0.81 SLC6A3 (0.49) ACHE
SCHEMBL8797465 0.79 KMT2A (0.61) KDM4ELMNAMAPK1RAB9AMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946538-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2003-08-06 EP disclosed
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
US-6436940-B1 2002-08-20 US disclosed
US-6436940-B2 COMBINED EFFECTS OF DOPAMINE D4 RECEPTOR LIGANDS AND SEROTONIN REUPTAKE INHIBITORS; SCHIZOPHRENIA; ANTIDEPRESSANT; ANXIOLYTIC AGENTS; PSYCHOLOGICAL DISORDERS; PANIC, SLEEP AND OBSESSIVE COMPULSIVE DISORDERS; ANTIISCHEMIC AGENTS H. LUNDBECK A/S (DK) 2002-08-20 US 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-6331544-B1 TREATING POSITIVE AND NEGATIVE SYMPTOMS OF SCHIZOPHRENIA AND OTHER PSYCHOSES H. LUNDBECK A/S (DK) 2001-12-18 US disclosed
US-20010051625-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-12-13 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-0946538-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028290-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 (3 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-20010051625-A1 Indane or dihydroindole derivatives DRD2, SLC6A3, DRD1 KDM4E 3707/4885HTT 916/4885LMNA 3569/4885
US-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 KDM4E 1773/4885HTT 2377/4885LMNA 4625/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 KDM4E 1773/4885HTT 2377/4885LMNA 4625/4885

“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.