SCHEMBL3320541

SCHEMBL3320541

CC(C)([CH]C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
CYP2C9 P11712 3/20 0.53
CYP1A2 P05177 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
FAAH O00519 1/20 0.51
CYP3A4 P08684 4/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2D6 P10635 5/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
USP2 O75604 6/20 0.45
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
HIF1A Q16665 1/20 0.43
GPR183 P32249 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
SCHEMBL3319749 0.87 FAAH (0.55) FAAHALDH1A1
SCHEMBL6135909 0.84 ALDH1A1 (0.55) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL3318519 0.82 FAAH (0.53) MEN1KMT2AFAAHALDH1A1SMN1; SMN2
SCHEMBL3320543 0.80 FAAH (0.52) TSHRCYP2C9CYP1A2MEN1KMT2A
SCHEMBL3321521 0.80 COMT (0.41) ALDH1A1DPP8GPR183
SCHEMBL3320695 0.78 MC4R (0.59) MEN1KMT2AFAAHDPP8
SCHEMBL3317749 0.78 HRH3 (0.60) TSHRMEN1KMT2ASMN1; SMN2USP2
SCHEMBL3319429 0.76 ALDH1A1 (0.58) TSHRMEN1KMT2AFAAHALDH1A1
SCHEMBL3315585 0.76 KDM4E (0.54) ALDH1A1HIF1A
SCHEMBL1066770 0.76 CYP3A4 (0.60) TSHRCYP2C9CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 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 (2 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 TSHR 947/4885CYP2C9 847/4885CYP1A2 489/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 TSHR 873/4885CYP2C9 1009/4885CYP1A2 557/4885

“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.