SCHEMBL30746004

SCHEMBL30746004

Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cn(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.68
GRM5 P41594 10/20 0.68
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
NAMPT P43490 1/20 0.45
PDK4 Q16654 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
SCHEMBL27007877 1.00 GRM1 (0.68) GRM1GRM5GABRPGABRDGABRA1
SCHEMBL27007702 0.97 GRM1 (0.66) GRM1GRM5GABRPGABRDGABRA1
SCHEMBL27007835 0.94 GRM1 (0.67) GRM1GRM5GABRPGABRDGABRA1
SCHEMBL30745993 0.94 GRM1 (0.67) GRM1GRM5GABRPGABRDGABRA1
SCHEMBL27007932 0.91 GRM1 (0.65) GRM1GRM5GABRPGABRDGABRA1
SCHEMBL27025918 0.90 GRM1 (0.64) GRM1GRM5GABRPGABRDGABRA1
SCHEMBL27007743 0.89 GRM1 (0.78) GRM1GRM5NAMPTPDK4GPR119
SCHEMBL30746011 0.85 GRM1 (0.72) GRM1GRM5NAMPTPDK4SOS1
SCHEMBL27007809 0.85 GRM1 (0.72) GRM1GRM5NAMPTPDK4SOS1
SCHEMBL27007806 0.85 GRM1 (0.75) GRM1GRM5NAMPTPDK4GPR119

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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA GRM1 2602/4885GRM5 3764/4885GABRP 2674/4885

“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.