SCHEMBL5885802

SCHEMBL5885802

CC(=O)C1(Nc2ccc(C#CCN(C)c3cccc(C#N)c3)cc2C)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
HIF1A Q16665 1/20 0.32
FFAR1 O14842 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
GRM5 P41594 1/20 0.31
GFER P55789 1/20 0.31
CSF1R P07333 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MAP2K1 Q02750 1/20 0.30
VNN1 O95497 1/20 0.30
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
MAPK14 Q16539 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5885758 0.88 GRM5 (0.33) PPARGEGLN1CYP1A2GRM5GFER
SCHEMBL5885272 0.87 GRM5 (0.33) PPARGEGLN1FFAR1CYP1A2GRM5
SCHEMBL5885763 0.83 HIF1A (0.40) HIF1ACYP2D6CYP1A2TSHRALDH1A1
SCHEMBL5885128 0.76 EGLN1 (0.34) PPARGEGLN1
SCHEMBL5886050 0.74 ACACB (0.45) PPARGCYP1A2GRM5
SCHEMBL5885372 0.74 F10 (0.32) MAPK14ALDH1A1
SCHEMBL5885804 0.74 LMNA (0.44) PPARGEGLN1FFAR1TSHRMAPK14
SCHEMBL5885581 0.73 F10 (0.32) MAPK14
SCHEMBL5885273 0.73 PPARG (0.40) PPARGEGLN1FFAR1GRM5GFER
SCHEMBL5888737 0.73 GFER (0.46) PPARGEGLN1FFAR1GFER

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-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 PPARG 2510/4885EGLN1 2190/4885HIF1A 834/4885

“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.