SCHEMBL12479834

SCHEMBL12479834

CC(C)(C)OC(=O)N1CCCC1CNc1cccc(OC(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 13/20 0.57
▸ KLK7 P49862 1/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ CCR3 P51677 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ FPR3 P25089 1/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ APP P05067 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43

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
SCHEMBL12479831 1.00 CFD (0.57) CFDKLK7KDM1ACCR3OPRD1
SCHEMBL2542454 0.86 APP (0.49) CFDKDM1ACCR3OPRD1FPR3
SCHEMBL12311356 0.83 OPRD1 (0.53) KLK7KDM1AOPRD1FPR3FPR2
SCHEMBL5097195 0.83 USP30 (0.49) CFDKDM1AOPRD1FPR3FPR2
SCHEMBL5100434 0.83 USP30 (0.49) CFDKDM1AOPRD1FPR3FPR2
SCHEMBL12479544 0.81 CFD (0.63) CFDKLK7
SCHEMBL12479547 0.81 CFD (0.63) CFDKLK7
SCHEMBL4308216 0.81 PRMT5 (0.50) KDM1AOPRD1FPR3FPR2PRMT5
SCHEMBL4308226 0.81 PRMT5 (0.50) KDM1AOPRD1FPR3FPR2PRMT5
SCHEMBL15891825 0.78 ALDH1A1 (0.52) KDM1AOPRD1FPR3FPR2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 — — EP disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 — — US disclosed
EP-2661433-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) Novartis AG (CH) 2013-11-13 — — EP disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 — — US disclosed
WO-2012093101-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2012-07-12 — — 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-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 CFD 9/4885KLK7 718/4885KDM1A 4743/4885

“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.

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