SCHEMBL6030481

SCHEMBL6030481

CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c2nc(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM1A O60341 4/20 0.42
HRH1 P35367 2/20 0.41
NR1H2 P55055 1/20 0.40
AVPR1A P37288 2/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ESR2 Q92731 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36

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
SCHEMBL6030115 0.85 HRH1 (0.51) OPRD1OPRK1KDM1AHRH1NR1H2
SCHEMBL6030410 0.83 HRH1 (0.44) OPRD1OPRK1KDM1AHRH1NR1H2
SCHEMBL6031015 0.80 HRH1 (0.50) OPRD1OPRK1KDM1AHRH1NR1H2
SCHEMBL6030737 0.80 OPRD1 (0.55) OPRD1OPRK1KDM1AHRH1NR1H2
SCHEMBL6031742 0.80 HRH1 (0.56) OPRD1OPRK1KDM1AHRH1NR1H2
SCHEMBL6031453 0.80 HRH1 (0.67) OPRD1OPRK1KDM1AHRH1NR1H2
SCHEMBL6030029 0.80 HRH1 (0.56) OPRD1OPRK1KDM1AHRH1NR1H2
SCHEMBL6031091 0.79 HRH1 (0.48) OPRD1OPRK1KDM1AHRH1NR1H2
SCHEMBL31185482 0.75 MAPK1 (0.45) OPRD1OPRK1KDM1ANR1H2AVPR1A
SCHEMBL6397994 0.75 MAPK1 (0.45) OPRD1OPRK1KDM1ANR1H2AVPR1A

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-7148214-B1 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-12 US disclosed
US-7087595-B2 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-08 US disclosed
EP-1144411-B1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2005-04-27 EP disclosed
US-20050026901-A1 Antiallergens; vision disorders JANSSENS FRANS EDUARD (BE) 2005-02-03 US disclosed
EP-1144411-A1 ANTIHISTAMINIC SPIRO COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2001-10-17 EP disclosed
WO-2000037470-A1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 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-20050026901-A1 Antiallergens; vision disorders UACA, LTB4R, HLA-B OPRD1 1139/4885OPRK1 2005/4885KDM1A 1637/4885

“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.