SCHEMBL15045463

SCHEMBL15045463

Cc1cnc2c(ccc3[nH]c(C)cc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.58
▸ CCR5 P51681 2/20 0.58
▸ CCR8 P51685 2/20 0.58
▸ KDM4E B2RXH2 3/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ COPS5 Q92905 1/20 0.44
▸ GAA P10253 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 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
SCHEMBL15045561 0.76 CCR1 (0.62) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL30492603 0.75 CCR1 (1.00) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL686948 0.75 CCR1 (1.00) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL15045470 0.75 ALDH1A1 (0.46) KDM4EGAAALDH1A1L3MBTL1MAPT
SCHEMBL15045469 0.75 NQO2 (0.41) KDM4EGAAALDH1A1L3MBTL1MAPT
SCHEMBL15045457 0.74 CCR1 (0.50) CCR1CCR5KDM4EGAAALDH1A1
SCHEMBL13338189 0.73 CCR1 (0.69) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL9041309 0.72 CCR1 (0.67) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL13561583 0.72 ALDH1A1 (0.55) KDM4EGAAALDH1A1L3MBTL1MAPT
SCHEMBL17051649 0.72 CCR1 (0.67) CCR1CCR5CCR8KDM4EPSMD14

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-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 — — US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 — — 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 CCR1 420/4885CCR5 465/4885CCR8 209/4885

“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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