SCHEMBL7401504

SCHEMBL7401504

O=C(C1Cc2ccccc2C1)N1CCN(c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.53
CYP3A4 P08684 4/20 0.53
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
NAMPT P43490 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPK14 Q16539 1/20 0.42
HSD11B1 P28845 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
MGLL Q99685 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR7 P34969 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
SCHEMBL3721191 0.79 MAPK14 (0.46) ROCK2CYP3A4TRPV1MAPK14MGLL
SCHEMBL7214291 0.76 DRD2 (0.57) ROCK2CYP3A4MAPTKDM4EALDH1A1
SCHEMBL22457004 0.75 PREP (0.55) NAMPTLMNAMAPTTP53ALDH1A1
SCHEMBL7220932 0.74 HTR7 (0.53) HTR7
SCHEMBL28398304 0.74 MAPK14 (0.43) ROCK2CYP3A4TRPV1MAPK14LMNA
SCHEMBL1537817 0.74 MAPT (0.53) NAMPTLMNAMAPTALDH1A1
SCHEMBL6072660 0.74 LTA4H (0.57) TRPV1KDM4EHTR7
SCHEMBL949366 0.72 HTR3A (0.56) MAPK14MAPTKDM4EHTR7
SCHEMBL6580645 0.70 HTR1A (0.49) LMNAMAPTALDH1A1HTR7
SCHEMBL3340549 0.70 LTA4H (0.48) MAPTALDH1A1HTR7

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
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-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 (1 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 ROCK2 2243/4885CYP3A4 169/4885ACACB 4511/4885

“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.