SCHEMBL7216904

SCHEMBL7216904

O=C(C1Cc2ccccc2C1)N1CC=C(c2c[nH]c3cc4c(cc23)OCO4)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL7217262 0.84 LMNA (0.55) MAPTLMNAPOLBTP53KDM4E
SCHEMBL7219966 0.83 MAPT (0.51) MAPTLMNAPOLBTP53SLC6A4
SCHEMBL7219761 0.79 HTR1A (0.48) LMNAKDM4EHTR1AALOX15SLC6A4
SCHEMBL7440918 0.77 MAPT (0.46) MAPTLMNAPOLBTP53JAK1
SCHEMBL18324889 0.74 LMNA (0.58) MAPTLMNAPOLBTP53JAK1
SCHEMBL10774965 0.69 KMT2A (0.51) MAPTLMNAKDM4EHTR1AALOX15
SCHEMBL7221082 0.69 MAPT (0.49) MAPTLMNAPOLBTP53SLC6A4
SCHEMBL7215851 0.69 MAPT (0.52) MAPTLMNAPOLBTP53KDM4E
SCHEMBL10851326 0.69 KMT2A (0.45) MAPTLMNAKDM4EHTR1AALOX15
SCHEMBL7213885 0.68 HTR1A (0.43) LMNAKDM4EHTR1AALOX15SLC6A4

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 MAPT 2009/4885LMNA 4625/4885POLB 4764/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 MAPT 2009/4885LMNA 4625/4885POLB 4764/4885

“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.