SCHEMBL22485643

SCHEMBL22485643

CC(C)Cc1ccc(-n2cc[n+](C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
FAAH O00519 2/20 0.35
CXCR1 P25024 4/20 0.34
CXCR2 P25025 4/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
NR1I3 Q14994 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
CXCL8 P10145 1/20 0.34

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
SCHEMBL14684708 0.82 MGLL (0.40)
SCHEMBL22486704 0.82 FAAH (0.35) GABRA1GABRB2FAAHCXCR1CXCR2
SCHEMBL12220256 0.82 LMNA (0.33) LMNABLM
Iodide SCHEMBL15993275 0.81 MGLL (0.39) LMNA
SCHEMBL22486718 0.81 FAAH (0.33) GABRA1GABRB2FAAHCXCR1CXCR2
SCHEMBL22485642 0.81 FAAH (0.33) GABRA1GABRB2FAAHCXCR1CXCR2
Iodide SCHEMBL2535721 0.80 LMNA (0.33) LMNABLM
SCHEMBL22485647 0.78 FAAH (0.33) GABRA1GABRB2FAAHCXCR1CXCR2
SCHEMBL22486702 0.78 FAAH (0.32) GABRA1GABRB2FAAHCXCR1CXCR2
SCHEMBL22485645 0.78 MGLL (0.42) FAAH

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-20200308149-A1 FUSED AND CROSS-LINKABLE IONIC HOLE TRANSPORT MATERIALS FOR PEROVSKITE SOLAR CELLS ENERGY EVERYWHERE, INC. (US) 2020-10-01 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-20200308149-A1 FUSED AND CROSS-LINKABLE IONIC HOLE TRANSPORT MATERIALS FOR PEROVSKITE SOLAR CELLS SLC43A1, SLC7A5, SUN2 GABRA1 3874/4885GABRB2 3432/4885FAAH 3336/4885

“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.