SCHEMBL6790360

SCHEMBL6790360

CC[C@H](C(=O)O)c1ccc(N2CCN(C)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
ADRA1A P35348 1/20 0.55
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CCNA1 P78396 3/20 0.43
S1PR1 P21453 1/20 0.39
KCNQ2 O43526 3/20 0.39
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 4/20 0.39
AKR1C1 Q04828 1/20 0.39
PTGS1 P23219 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KCNQ3 O43525 1/20 0.36

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
SCHEMBL6795492 1.00 HTR1A (0.55) HTR1AADRA1ACCNA2CDK2CCNA1
SCHEMBL5726470 0.81 CCNA2 (0.53) CCNA2CDK2CCNA1AKR1C3AKR1C2
SCHEMBL5727140 0.81 CCNA2 (0.53) CCNA2CDK2CCNA1AKR1C3AKR1C2
SCHEMBL5769663 0.81 CCNA2 (0.53) CCNA2CDK2CCNA1AKR1C3AKR1C2
SCHEMBL6796688 0.78 HTR1A (0.55) HTR1AADRA1ACCNA2CDK2CCNA1
SCHEMBL5204357 0.78 ALDH1A1 (0.57) HTR1AADRA1ANPC1RAB9AALDH1A1
SCHEMBL6788874 0.78 HTR1A (0.55) HTR1AADRA1ACCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL8575744 0.77 CPN1 (0.45)
SCHEMBL24451811 0.76 CCNA2 (0.46) CCNA2CDK2CCNA1HRH3HDAC1
SCHEMBL6625037 0.75 KCNQ2 (0.63) HTR1AADRA1AKCNQ2MEN1NPC1

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-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents PFIZER ITALIA S.R.I. (IT) 2004-11-25 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 (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-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents CDK2, CDK1, CDKN1A HTR1A 3596/4885ADRA1A 1936/4885CCNA2 31/4885

“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.