SCHEMBL7097233

SCHEMBL7097233

CC(C)(C)OC(=O)n1cnc(C2=CCOc3c2cccc3[N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.35
MET P08581 2/20 0.34
P2RX3 P56373 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
USP30 Q70CQ3 1/20 0.31
UCHL1 P09936 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30
BTK Q06187 1/20 0.30
HTT P42858 1/20 0.30
DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL7097255 0.84 MET (0.36) GPR119METP2RX3ALDH1A1LMNA
SCHEMBL7103436 0.82 P2RX3 (0.36) GPR119METP2RX3ALDH1A1LMNA
SCHEMBL7099249 0.81 P2RX3 (0.35) GPR119METP2RX3ALDH1A1LMNA
SCHEMBL7167889 0.69 ADRA2A (0.37) ALDH1A1MAPT
SCHEMBL7101646 0.69 CCNT1 (0.33) METP2RX3ALDH1A1LMNAMAPT
SCHEMBL17673956 0.69 RAB9A (0.52) ALDH1A1LMNAMAPTGABRA1GABRG2
SCHEMBL25081218 0.68 SMARCA2 (0.49) GPR119MAPTDGAT2
SCHEMBL7100197 0.65 PARP1 (0.35) GPR119METP2RX3ALDH1A1LMNA
SCHEMBL27647927 0.65 GPR119 (0.49) GPR119USP30
SCHEMBL4900921 0.64 HSD17B1 (0.43) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A GPR119 84/4885MET 4302/4885P2RX3 791/4885

“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.