SCHEMBL22003789

SCHEMBL22003789

CCn1c(C(=O)N(C)C)cc2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.51
▸ CCR2 P41597 9/20 0.50
▸ GFER P55789 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.42
▸ PROKR1 Q8TCW9 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ PTGER4 P35408 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
SCHEMBL700700 0.84 CCR2 (0.65) CCR2GPR35
SCHEMBL6964777 0.81 CCR2 (0.49) CCR2PTGS2RXFP1GPR35PROKR1
SCHEMBL22022199 0.81 RXFP1 (0.59) ACLYGFERRXFP1
SCHEMBL8689838 0.79 ALDH1A1 (0.54) CCR2PTGS2TDP1
SCHEMBL22004309 0.76 ACLY (0.58) ACLYCCR2TDP1
SCHEMBL22004146 0.76 PTGS2 (0.60) ACLYCCR2PTGS2PROKR1
Hydrochloric Acid SCHEMBL8689664 0.74 RXFP1 (0.43) CCR2PTGS2RXFP1
SCHEMBL8687383 0.72 CCR2 (0.62) CCR2
SCHEMBL21335592 0.72 ALDH1A1 (0.45) ACLYCCR2RXFP1GAATDP1
SCHEMBL9243077 0.71 CCR2 (0.47) CCR2PTGS2RXFP1PROKR1TDP1

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 — — 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885CCR2 4510/4885GFER 680/4885

“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.

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