SCHEMBL1698240

SCHEMBL1698240

CC(C)C1CCCc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 17/20 0.45
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2669656 0.90 OPRL1 (0.40) CXCR4KCNH2
SCHEMBL25515629 0.90 OPRL1 (0.40) CXCR4KCNH2
SCHEMBL1698222 0.84 CXCR4 (0.44) CXCR4CYP2D6KCNH2
SCHEMBL30667255 0.83 CXCR4 (0.42) CXCR4CYP2D6KCNH2
SCHEMBL1698248 0.83 CXCR4 (0.42) CXCR4CYP2D6KCNH2
SCHEMBL1698217 0.83 CXCR4 (0.42) CXCR4CYP2D6KCNH2
SCHEMBL1698196 0.82 CXCR4 (0.43) CXCR4CYP2D6KCNH2
SCHEMBL5021377 0.82 HDAC1 (0.42) CXCR4CYP2D6KCNH2
SCHEMBL12070440 0.80 CXCR4 (0.41) CXCR4CYP2D6KCNH2
SCHEMBL1698226 0.79 CXCR4 (0.41) CXCR4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103159676-A Compounds and application thereof LU ZHONGLIN 2013-06-19 CN claimed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
US-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. 2023-06-15 US disclosed
US-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. 2023-06-15 US disclosed
WO-2021231726-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2021-11-18 WO disclosed
US-11001579-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-05-11 US disclosed
US-10738041-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2020-08-11 US disclosed
US-20190345151-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2019-11-14 US disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-20190144396-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-16 US disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 US disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed
US-20070003680-A1 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. 2007-01-04 US disclosed
US-20070003680-A1 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. 2007-01-04 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 (11 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-20190345151-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 CXCR4 2203/4885CYP2D6 278/4885KCNH2 4249/4885
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A CXCR4 242/4885CYP2D6 962/4885KCNH2 3768/4885
US-10738041-B2 Ferroportin inhibitors SLC40A1, HAMP, TFRC CXCR4 3358/4885CYP2D6 1462/4885KCNH2 4148/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CXCR4 2552/4885CYP2D6 2628/4885KCNH2 4754/4885
US-11001579-B2 Ferroportin inhibitors HAMP, SLC40A1, FTH1 CXCR4 2211/4885CYP2D6 264/4885KCNH2 4378/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 CXCR4 3/4885CYP2D6 2999/4885KCNH2 4757/4885
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 CXCR4 4576/4885CYP2D6 1381/4885KCNH2 982/4885
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 CXCR4 1716/4885CYP2D6 1003/4885KCNH2 2610/4885
US-20190144396-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 CXCR4 4008/4885CYP2D6 359/4885KCNH2 651/4885
US-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF ENPP1, ENPP2, ENPP3 CXCR4 2527/4885CYP2D6 3376/4885KCNH2 3531/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 CXCR4 2/4885CYP2D6 2232/4885KCNH2 4846/4885

“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.