SCHEMBL6809992

SCHEMBL6809992

CC(C)c1cccc(C(C)C)c1N(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 8/20 1.00
GRPR P30550 1/20 0.69
BCHE P06276 1/20 0.51
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
TACR3 P29371 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
BCL2A1 Q16548 2/20 0.45
BID P55957 1/20 0.45
CTSL P07711 1/20 0.45
BRS3 P32247 1/20 0.45
TACR1 P25103 1/20 0.44
SSTR1 P30872 1/20 0.44

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
SCHEMBL6809988 0.84 NMBR (0.80) NMBRGRPRBCHEITGB2ICAM1
SCHEMBL6181017 0.82 NMBR (1.00) NMBRGRPRBCHEITGB2ICAM1
SCHEMBL6180485 0.81 NMBR (0.75) NMBRGRPR
SCHEMBL7671985 0.78 NMBR (0.65) NMBRGRPRBCHEITGB2ICAM1
SCHEMBL6181433 0.75 NMBR (1.00) NMBRGRPRBCHEITGB2ICAM1
SCHEMBL14571110 0.75 NMBR (0.71) NMBRMAPT
SCHEMBL8574758 0.72 NMBR (0.75) NMBRGRPRBCHESSTR2
SCHEMBL3848227 0.71 ITGB2 (0.61) NMBRBCHEITGB2ICAM1ITGAL
SCHEMBL3849151 0.71 ITGB2 (0.61) NMBRBCHEITGB2ICAM1ITGAL
SCHEMBL3848230 0.71 ITGB2 (0.61) NMBRBCHEITGB2ICAM1ITGAL

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-20040087561-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY LLC 2004-05-06 US claimed

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-20040087561-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 NMBR 258/4885GRPR 199/4885BCHE 49/4885

“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.