SCHEMBL4520767

SCHEMBL4520767

NC(c1cccc(Br)c1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRD1 P41143 5/20 0.43
OPRK1 P41145 5/20 0.43
OPRL1 P41146 5/20 0.43
IDO1 P14902 3/20 0.43
TDO2 P48775 1/20 0.43
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
KDM1A O60341 2/20 0.39
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL1419783 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL4742177 0.93 MBTD1 (0.42) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL4734690 0.93 MBTD1 (0.42) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL4742181 0.91 MBTD1 (0.41) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL4141018 0.81 SLC18A3 (0.46) IDO1TDO2MBTD1L3MBTL3SLC18A3
SCHEMBL2677605 0.78 OPRL1 (0.59) OPRM1OPRD1OPRK1OPRL1
SCHEMBL632624 0.78 OPRL1 (0.59) OPRM1OPRD1OPRK1OPRL1
SCHEMBL2675785 0.77 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL20844697 0.77 OPRL1 (0.40) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL2676517 0.77 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
WO-2008063114-A9 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008063114-A9 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008063114-A1 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-05-29 WO disclosed
WO-2008063114-A1 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-05-29 WO disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
EP-1699775-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME Allergan, Inc. (US) 2006-09-13 EP disclosed
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 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 (3 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-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 OPRM1 277/4885OPRD1 288/4885OPRK1 356/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 OPRM1 3506/4885OPRD1 2064/4885OPRK1 1582/4885
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 OPRM1 277/4885OPRD1 288/4885OPRK1 356/4885

“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.