SCHEMBL6986089

SCHEMBL6986089

OC1Cc2ccc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ANPEP P15144 2/20 0.42
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2D6 P10635 1/20 0.40
HPRT1 P00492 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6944904 0.81 CYP1A2 (0.51) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL28028752 0.79 HPRT1 (0.45) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL19100030 0.78 ANPEP (0.39) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL1824058 0.78 ANPEP (0.39) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL17529934 0.76 ANPEP (0.40) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL9515081 0.73 ANPEP (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL9515024 0.73 ANPEP (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL9515388 0.73 ANPEP (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL9874592 0.73 ANPEP (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL31229478 0.73 CYP1A2 (0.41) HSD17B10ALDH1A1TSHRCYP1A2CYP2C19

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 HSD17B10 70/4885ALDH1A1 1082/4885CYP2A6 146/4885

“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.