SCHEMBL17023759

SCHEMBL17023759

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.71
LMNA P02545 3/20 0.71
HRH1 P35367 3/20 0.71
DRD3 P35462 3/20 0.71
ADRA1D P25100 2/20 0.71
ADRA1A P35348 2/20 0.71
ADRA1B P35368 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
HTR2A P28223 2/20 0.71
HTR2B P41595 2/20 0.71
BLM P54132 2/20 0.71
DRD2 P14416 2/20 0.71
SLC6A2 P23975 2/20 0.71
SLC6A3 Q01959 2/20 0.71
NPC1 O15118 1/20 0.71
CACNA1F O60840 1/20 0.71
GMNN O75496 1/20 0.71
USP2 O75604 1/20 0.71
EGFR P00533 1/20 0.71

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
SCHEMBL18590360 1.00 KCNH2 (0.71) KCNH2LMNAHRH1DRD3ADRA1D
SCHEMBL18609512 0.90 SLC6A2 (0.57) KCNH2LMNAHRH1DRD3ADRA1D
SCHEMBL9235500 0.90 ADRA1D (0.64) KCNH2LMNAHRH1DRD3ADRA1D
SCHEMBL18609511 0.89 SLC6A2 (0.56) KCNH2LMNAHRH1DRD3ADRA1D
SCHEMBL17031601 0.88 MEN1 (0.76) KCNH2LMNAHRH1DRD3ADRA1D
SCHEMBL17023785 0.85 HRH1 (0.72) KCNH2LMNAHRH1DRD3ADRA1D
SCHEMBL18590358 0.85 HRH1 (0.72) KCNH2LMNAHRH1DRD3ADRA1D
SCHEMBL17031634 0.84 ADRA1A (0.52) KCNH2LMNAHRH1DRD3ADRA1D
Hydrochloric Acid SCHEMBL467351 0.83 GRIN1 (0.68) ADRA1DADRA1AADRA1BMEN1KMT2A
Terfenadine SCHEMBL5999023 0.83 KCNH2 (1.00) KCNH2LMNAHRH1DRD3ADRA1D

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 8 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-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 KCNH2 1413/4885LMNA 1841/4885HRH1 1562/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO KCNH2 1413/4885LMNA 1841/4885HRH1 1562/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO KCNH2 1413/4885LMNA 1841/4885HRH1 1562/4885

“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.