SCHEMBL17023763

SCHEMBL17023763

CC(C)(C)c1ccc(C(=O)CCCN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 3/20 0.70
SLC6A2 P23975 2/20 0.65
SLC6A4 P31645 2/20 0.65
NPC1 O15118 1/20 0.65
MLNR O43193 1/20 0.65
NR1I2 O75469 1/20 0.65
EGFR P00533 1/20 0.65
LMNA P02545 1/20 0.65
ERBB2 P04626 1/20 0.65
FYN P06241 1/20 0.65
CHRM2 P08172 1/20 0.65
CHRM4 P08173 1/20 0.65
ABCB1 P08183 1/20 0.65
ADRB1 P08588 1/20 0.65
HTR1A P08908 1/20 0.65
CHRM5 P08912 1/20 0.65
ADRA2A P08913 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CHRM1 P11229 1/20 0.65
ADRB3 P13945 1/20 0.65

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
SCHEMBL9050713 0.88 CCR3 (0.66) ADRA1DADRA1AADRA1BCCR3
Hydrochloric Acid SCHEMBL9053162 0.87 CCR3 (0.65) ADRA1DADRA1AADRA1BCCR3
SCHEMBL4499983 0.85 CYP2J2 (0.65) CYP2J2SLC6A2SLC6A4CCR3
SCHEMBL4512783 0.85 DRD2 (0.71) CHRM2HTR1AADRA2ADRD2DRD1
Hydrochloric Acid SCHEMBL7303580 0.84 DRD2 (0.69) CHRM2HTR1AADRA2ADRD2DRD1
SCHEMBL17023778 0.83 CYP2J2 (0.71) CYP2J2SLC6A2SLC6A4NPC1MLNR
Terfenadone SCHEMBL11364486 0.82 CYP2J2 (1.00) CYP2J2SLC6A2SLC6A4NPC1MLNR
SCHEMBL11826925 0.82 CYP2J2 (1.00) CYP2J2SLC6A2SLC6A4NPC1MLNR
SCHEMBL4350904 0.82 CYP2J2 (0.69) CYP2J2SLC6A2SLC6A4NPC1MLNR
Hydrochloric Acid SCHEMBL11830435 0.81 CYP2J2 (0.98) CYP2J2SLC6A2SLC6A4NPC1MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US 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-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO CYP2J2 2123/4885SLC6A2 4697/4885SLC6A4 4816/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO CYP2J2 2123/4885SLC6A2 4697/4885SLC6A4 4816/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO CYP2J2 2123/4885SLC6A2 4697/4885SLC6A4 4816/4885

“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.