SCHEMBL6987200

SCHEMBL6987200

O=C1Cc2ccc3ccccc3c21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.46
ANPEP P15144 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2A6 P11509 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PAX8 Q06710 1/20 0.43
CES1 P23141 2/20 0.43
WDR5 P61964 1/20 0.42
HPRT1 P00492 1/20 0.41
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1501866 0.88 DNMT1 (0.47) DNMT1ANPEPALDH1A1TSHRHSD17B10
SCHEMBL12070492 0.83 DNMT1 (0.51) DNMT1ANPEPALDH1A1PAX8CES1
SCHEMBL868639 0.82 TSHR (0.52) DNMT1ANPEPALDH1A1TSHRHSD17B10
SCHEMBL29716676 0.82 TSHR (0.52) DNMT1ANPEPALDH1A1TSHRHSD17B10
SCHEMBL6759607 0.82 DNMT1 (0.44) DNMT1ANPEPALDH1A1TSHRHSD17B10
SCHEMBL30617063 0.82 DNMT1 (0.44) DNMT1ANPEPALDH1A1TSHRHSD17B10
SCHEMBL21385140 0.80 TSHR (0.50) DNMT1ANPEPALDH1A1TSHRHSD17B10
SCHEMBL6215591 0.79 ALDH1A1 (0.49) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL29963125 0.78 DNMT1 (0.53) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL1501682 0.78 DNMT1 (0.53) DNMT1ALDH1A1TSHRHSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146041-B1 Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline SERVIER LAB (FR) 2003-11-12 EP disclosed
US-6420413-B2 1-(6-((DIMETHYLAMINO)METHYL)-1-METHYL-2,3,5,6-TETRAHYDRO-1H -CYCLOBUTA(F) INDOL-6-YL)CYCLOHEXANOL, FOR EXAMPLE; TREATING PSYCHOLOGICAL DISORDERS SUCH AS DEPRESSION, PANIC ATTACKS, PHOBIAS, DRUG ABUSE, AS WELL AS OBESITY AND BULEMIA LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed
US-20020019380-A1 Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds LES LABORATOIRES SERVIER (FR) 2002-02-14 US disclosed
EP-1146041-A1 Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline ADIR ET COMPAGNIE (FR) 2001-10-17 EP 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-20020019380-A1 Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds HSD3B2, HSD3B1, NR1H3 DNMT1 1562/4885ANPEP 4466/4885ALDH1A1 1082/4885

“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.