SCHEMBL993753

SCHEMBL993753

Cc1ccnc(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
NOS2 P35228 4/20 0.37
NOS3 P29474 3/20 0.37
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
UHRF1 Q96T88 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL25144384 0.85 SMN1; SMN2 (0.37) CCR1CCR5CCR8NOS2NOS3
SCHEMBL25700670 0.85 CCR1 (0.34) CCR1CCR5CCR8NOS2NOS3
SCHEMBL20457472 0.85 CCR1 (0.34) CCR1CCR5CCR8NOS2NOS3
SCHEMBL410301 0.79 CCR1 (0.39) CCR1CCR5CCR8NOS2NOS3
SCHEMBL10204659 0.79 NOS2 (0.48) CCR1CCR5CCR8NOS2NOS3
SCHEMBL3635124 0.77 CYP3A4 (0.30) CYP3A4TSHRCYP2C19
SCHEMBL21718934 0.76 CCR1 (0.37) CCR1CCR5CCR8NOS2NOS3
SCHEMBL21709866 0.76 NOS2 (0.56) CCR1CCR5CCR8NOS2NOS3
SCHEMBL22096913 0.76 GABRA1 (0.42) CCR1CCR5CCR8NOS2NOS3
SCHEMBL21719115 0.76 HPGD (0.41) CCR1CCR5CCR8NOS2NOS3

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 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801591-B A kind of five rings pyrroles Alkaloid and preparation method thereof 中国科学院化学研究所 2019-06-18 CN claimed
CN-101687120-B Method for direct elution of reactive18F fluoride ions from anion exchange resins in an organic medium suitable for radiolabelling, without any evaporation step, by using strong organic bases TRASIS S A 2013-12-18 CN claimed
EP-2164590-A1 METHOD FOR THE DIRECT ELUTION OF REACTIVE 18F FLUORIDE FROM AN ANION EXCHANGE RESIN IN AN ORGANIC MEDIUM SUITABLE FOR RADIOLABELLING WITHOUT ANY EVAPORATION STEP BY THE USE OF STRONG ORGANIC BASES Trasis S.A. (BE) 2010-03-24 EP claimed
WO-2009003251-A1 METHOD FOR THE DIRECT ELUTION OF REACTIVE 18F FLUORIDE FROM AN ANION EXCHANGE RESIN IN AN ORGANIC MEDIUM SUITABLE FOR RADIOLABELLING WITHOUT ANY EVAPORATION STEP BY THE USE OF STRONG ORGANIC BASES TRASIS S.A. (BE) 2009-01-08 WO claimed
EP-0912477-A1 PROCESS FOR THE PREPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1,2-DIOLS FROM $g(g),$g(d)-EPOXYALKENES EASTMAN CHEMICAL COMPANY (US) 1999-05-06 EP claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998002404-A1 PROCESS FOR THE PREPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1,2-DIOLS FROM η,δ-EPOXYALKENES EASTMAN CHEMICAL COMPANY (US) 1998-01-22 WO claimed
EP-4374929-B1 METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL UNIV SOUTHERN CALIFORNIA (US) 2025-09-03 EP disclosed
WO-2024099364-A2 FUSED MULTICYCLIC COMPOUNDS AND THEIR USE AS PARP1 INHIBITORS LAEKNA THERAPEUTICS SHANGHAI CO., LTD. (CN) 2024-05-16 WO disclosed
CN-117946114-A TYK2 inhibitor and application thereof 武田药品工业株式会社 2024-04-30 CN disclosed
CN-117946115-A TYK2 inhibitor and application thereof 武田药品工业株式会社 2024-04-30 CN disclosed
US-20240051979-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2024-02-15 US disclosed
WO-2023193789-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2023-10-12 WO disclosed
US-5144043-A Coupling protein or peptide to radionucleotide; labeling antibodies CENTOCOR (US) 1992-09-01 US disclosed
WO-1992012709-A1 ARYL MACROCYCLIC COMPOSITIONS FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 1992-08-06 WO disclosed
WO-1992012708-A1 ANTI-COAGULANT PROPERTIES OF MACROCYCLIC COMPOUNDS AND METHOD OF TREATMENT GENELABS TECHNOLOGIES, INC. (US) 1992-08-06 WO disclosed
US-5045554-A Fluoro compounds, rice sheath blight, Basidiomycetes type fungus MONSANTO COMPANY (US) 1991-09-03 US disclosed
US-5026882-A Phosphinic acid substituted steroids as inhibitors of steroid 5α-reductase SMITHKLINE BEECHAM CORPORATION (US) 1991-06-25 US disclosed
US-5017568-A Enzyme inhibitors, carboxylation SMITHKLINE BEECHAM CORPORATION (US) 1991-05-21 US disclosed
EP-0371950-A2 Substituted thiazoles and their use as fungicides Monsanto Company (US) 1990-06-06 EP 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-20240051979-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 CCR1 2474/4885CCR5 2332/4885CCR8 1840/4885

“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.