SCHEMBL15045561

SCHEMBL15045561

Cc1cnc2c(ccc3cc(C)[nH]c32)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.62
▸ CCR5 P51681 2/20 0.62
▸ CCR8 P51685 2/20 0.62
▸ KDM4E B2RXH2 3/20 0.46
▸ PSMD14 O00487 2/20 0.46
▸ COPS5 Q92905 2/20 0.46
▸ PARP1 P09874 1/20 0.41
▸ NFKBIA P25963 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SLC40A1 Q9NP59 4/20 0.35
▸ MAPT P10636 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2A6 P11509 1/20 0.32

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
SCHEMBL30492603 0.78 CCR1 (1.00) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL686948 0.78 CCR1 (1.00) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL13561686 0.76 CCR1 (0.58) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL15045567 0.76 CYP1A2 (0.41) CCR1CCR5CCR8KDM4EPARP1
SCHEMBL15045463 0.76 CCR1 (0.58) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL22762128 0.75 MAPT (0.57) CCR1CCR5CCR8KDM4EHTT
SCHEMBL4429156 0.73 KDM4E (0.44) KDM4ECYP1A2HTTSMN1; SMN2GAA
SCHEMBL21064344 0.72 CCR1 (0.76) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL15045563 0.72 CCR1 (0.54) CCR1CCR5KDM4EPARP1NFKBIA
SCHEMBL13561659 0.71 CYP2A6 (0.41) CCR1CCR5CCR8KDM4ECYP1A2

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 3 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-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — 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 (2 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
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L CCR1 423/4885CCR5 160/4885CCR8 175/4885

“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.

Send feedback