SCHEMBL20306196

SCHEMBL20306196

CC(C)(C)c1ccc(CCCCN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.78
CCR3 P51677 2/20 0.78
HRH3 Q9Y5N1 1/20 0.63
KCNH2 Q12809 1/20 0.62
ABCB1 P08183 1/20 0.58

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
SCHEMBL7374609 0.88 SIGMAR1 (1.00) SIGMAR1CCR3HRH3KCNH2
SCHEMBL8091672 0.87 SIGMAR1 (0.97) SIGMAR1CCR3HRH3KCNH2
Hydrochloric Acid SCHEMBL7407431 0.87 SIGMAR1 (0.97) SIGMAR1CCR3HRH3KCNH2
SCHEMBL7409408 0.84 SIGMAR1 (0.91) SIGMAR1CCR3HRH3KCNH2ABCB1
SCHEMBL7372248 0.83 CCR3 (0.84) SIGMAR1CCR3HRH3KCNH2
Hydrochloric Acid SCHEMBL7404260 0.82 SIGMAR1 (0.88) SIGMAR1CCR3HRH3KCNH2ABCB1
SCHEMBL17023759 0.82 KCNH2 (0.71) SIGMAR1CCR3KCNH2ABCB1
SCHEMBL18590360 0.82 KCNH2 (0.71) SIGMAR1CCR3KCNH2ABCB1
SCHEMBL9388197 0.82 CARM1 (0.63) CCR3KCNH2
SCHEMBL18609512 0.81 SLC6A2 (0.57) SIGMAR1CCR3KCNH2ABCB1

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 1 patent. 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

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-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO SIGMAR1 4344/4885CCR3 62/4885HRH3 1628/4885

“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.