SCHEMBL5099707

SCHEMBL5099707

COC(C(=O)O)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
GSK3B P49841 2/20 0.43
FFAR1 O14842 2/20 0.42
MGLL Q99685 2/20 0.41
GPR139 Q6DWJ6 1/20 0.41
TNF P01375 1/20 0.40
ADRA1D P25100 3/20 0.40
KCNA5 P22460 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA1A P35348 1/20 0.40
PIN1 Q13526 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FOLH1 Q04609 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1990381 0.79 PTGS1 (0.54) GRM4GSK3BGPR139ADRA1DADRA2B
SCHEMBL5089141 0.79 FFAR1 (0.48) GRM4FFAR1TNFFFAR4FOLH1
SCHEMBL28351722 0.78 SRC (0.52) GRM4GSK3BFFAR1MGLLGPR139
SCHEMBL14965675 0.78 GRM4 (0.50) GRM4GSK3BMGLLGPR139TNF
Hydrochloric Acid SCHEMBL5098915 0.77 FFAR1 (0.47) GRM4FFAR1TNFFFAR4FOLH1
SCHEMBL5164144 0.77 MGLL (0.52) MGLLKDM4E
SCHEMBL6490821 0.77 GSK3B (0.56) GRM4GSK3BFFAR1MGLLGPR139
SCHEMBL5038096 0.77 KYNU (0.55) ADRA2BADRA1AKDM4E
SCHEMBL6201138 0.77 GSK3B (0.44) GRM4GSK3BFFAR1TNFADRA1D
SCHEMBL6611635 0.77 ACP3 (0.47) KDM4E

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-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 GRM4 3245/4885GSK3B 1567/4885FFAR1 333/4885

“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.