SCHEMBL15045563

SCHEMBL15045563

Cc1ccc2ccc3cc(C)[nH]c3c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ CCR5 P51681 1/20 0.54
▸ METAP2 P50579 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 3/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GLO1 Q04760 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.33

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
SCHEMBL20561885 0.79 HTT (0.58) CCR1RAB9ACCR5SMN1; SMN2HTT
SCHEMBL4429156 0.78 KDM4E (0.44) SMN1; SMN2HTTGAATDP1L3MBTL1
SCHEMBL22762128 0.76 MAPT (0.57) CCR1CCR5SMN1; SMN2HTTTDP1
SCHEMBL13561656 0.76 CYP1A2 (0.44) CCR1RAB9ACCR5SMN1; SMN2HTT
SCHEMBL15045457 0.73 CCR1 (0.50) CCR1RAB9ACCR5METAP2SMN1; SMN2
SCHEMBL890081 0.72 CCR1 (0.42) CCR1RAB9ACCR5CYP1A2KDM4E
Neocuproine SCHEMBL29367091 0.72 CCR1 (1.00) CCR1RAB9ACCR5METAP2TDP1
Neocuproine SCHEMBL29639703 0.72 CCR1 (1.00) CCR1RAB9ACCR5METAP2TDP1
Neocuproine SCHEMBL124563 0.72 CCR1 (1.00) CCR1RAB9ACCR5METAP2TDP1
Neocuproine SCHEMBL11672280 0.72 CCR1 (1.00) CCR1RAB9ACCR5METAP2TDP1

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 4 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
WO-2014108430-A1 THERMALLY ACTIVATED FLUORESCENCE AND SINGLET HARVESTING WITH RIGID METAL COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2014-07-17 — — WO 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 420/4885RAB9A 3293/4885CCR5 465/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L CCR1 423/4885RAB9A 1539/4885CCR5 160/4885

“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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