Sugi Predict

Sugi Predict / Compounds / SCHEMBL599000

SCHEMBL599000

SCHEMBL599000

C1CNCCNCCCN(CCCN2CCCNCCNCCCNCC2)CCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 13/20 1.00
▸ HRH3 Q9Y5N1 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CHRM2 P08172 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ CCR2 P41597 1/20 0.55
▸ CXCL12 P48061 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ SIGMAR1 Q99720 2/20 0.47
▸ HRH2 P25021 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9241446 0.98 CXCR4 (0.95) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL5569626 0.95 CXCR4 (0.91) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL5570628 0.93 CXCR4 (0.87) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL151845 0.93 CXCR4 (0.87) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL674657 0.91 CXCR4 (0.83) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL5574097 0.88 CXCR4 (0.91) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL15043638 0.88 CXCR4 (0.91) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL1934187 0.88 CXCR4 (0.78) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL3992323 0.88 CXCR4 (0.78) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL1843440 0.88 CXCR4 (0.77) CXCR4HRH3CHRM2CHRM1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434385-B1 Use of macrocyclic nitrogen containing compounds for the treatment of retroviral infections JOHNSON MATTHEY PLC (GB) 1995-11-22 — — EP claimed
EP-0434385-A2 Use of macrocyclic nitrogen containing compounds for the treatment of retroviral infections JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1991-06-26 — — EP claimed
US-20250000821-A1 METHODS OF USING DIPIVEFRIN Insignis Therapeutics, Inc. 2025-01-02 — — US disclosed
CN-111565716-B Method of using dipivefrin 因斯格尼斯疗法有限公司 2023-06-09 — — CN disclosed
US-20220193010-A1 METHODS OF USING DIPIVEFRIN INSIGNIS THERAPEUTICS INC (US) 2022-06-23 — — US disclosed
US-9861652-B2 2′ Fluoronucleosides EMORY UNIVERSITY (US) 2018-01-09 — — US disclosed
US-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 — — US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-20160206592-A1 METHOD FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS BY INHIBITION OF CXCR4/CXCL12 SIGNALING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2016-07-21 — — US disclosed
US-20160206592-A1 METHOD FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS BY INHIBITION OF CXCR4/CXCL12 SIGNALING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2016-07-21 — — US disclosed
US-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-06-09 — — US disclosed
US-20020198171-A1 2'-fluoronucleosides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-26 — — US disclosed
US-6407077-B1 ADMINISTERING B-L-(-2*-AZIDO)-2*,3*-DIDEOXY-5-FLUOROCYTIDINE DERIVATIVE; ACQUIRED IMMUNE DEFICIENCY SYNDROMOE (AIDS) TREATMENT EMORY UNIVERSITY 2002-06-18 — — US disclosed
US-6348587-B1 PURINE OR PYRIMIDINE BASE DERIVATIVES; ANTICANCER, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS; TREATING HIV AND HEPATITIS EMORY UNIVERSITY 2002-02-19 — — US disclosed
EP-1124565-A1 AZIDO DERIVATIVES OF BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HIV INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-08-22 — — EP disclosed
US-6197777-B1 A 1,3-OXASELENOLANE NUCLEOSIDE; VIRICIDE EMORY UNIVERSITY 2001-03-06 — — US disclosed
EP-1058686-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 2000-12-13 — — EP disclosed
US-6071922-A PYRIMIDINE-BASE NUCLEOSIDES; VIRICIDES; HIV; HEPATITIS B VIRUS; AIDS-RELATED COMPLEX; IMMUNODEFICIENCY VIRUS IN ANIMALS AND HUMANS; ANTIPROLIFERATIVE AGENTS EMORY UNIVERSITY (US) 2000-06-06 — — US disclosed
WO-2000025799-A1 β-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HIV INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-05-11 — — WO disclosed
WO-1999043691-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 1999-09-02 — — WO 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 (5 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-20020198171-A1 2'-fluoronucleosides NSUN2, PNP, FDPS CXCR4 1319/4885HRH3 1456/4885MEN1 2110/4885
US-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 CXCR4 403/4885HRH3 2945/4885MEN1 3553/4885
US-20250000821-A1 METHODS OF USING DIPIVEFRIN QDPR, DNPEP, DPEP1 CXCR4 1728/4885HRH3 25/4885MEN1 419/4885
US-20160206592-A1 METHOD FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS BY INHIBITION OF CXCR4/CXCL12 SIGNALING CXCL12, GRM2, GRM1 CXCR4 5/4885HRH3 211/4885MEN1 4840/4885
US-20220193010-A1 METHODS OF USING DIPIVEFRIN QDPR, DNPEP, DPEP1 CXCR4 1728/4885HRH3 25/4885MEN1 419/4885

“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.