SCHEMBL7598929

SCHEMBL7598929

NCCCCCCNc1nc(N)nc(N(CCCCCCN)CCCCCCN)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.36
DRD2 P14416 5/20 0.36
HTR2A P28223 5/20 0.36
HTR7 P34969 5/20 0.36
HTR6 P50406 5/20 0.36
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36
TLR8 Q9NR97 2/20 0.35
SLC29A1 Q99808 2/20 0.35
PIM1 P11309 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DNM2 P50570 6/20 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
SCHEMBL1274458 1.00 HTR1A (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9621722 1.00 HTR1A (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2534130 0.98 NPY1R (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL1274425 0.91 HRH3 (0.37) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL25434244 0.87 SLC29A1 (0.49) TLR8SLC29A1DNM2
SCHEMBL11293174 0.87 SLC29A1 (0.49) TLR8SLC29A1DNM2
SCHEMBL21585426 0.82 HSP90AA1 (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4163258 0.82 TLR8 (0.46) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3809514 0.82 HTR7 (0.47) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4161007 0.82 HTR7 (0.47) HTR1ADRD2HTR2AHTR7HTR6

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12010996-B2 Tris-substituted biguanide compounds and their uses CHEN HWANG HSING (US) 2024-06-18 US claimed
US-20220015366-A1 TRIS-SUBSTITUTED BIGUANIDE COMPOUNDS AND THEIR USES CHEN HWANG HSING (US) 2022-01-20 US claimed
US-20190373895-A1 BRANCHED POLYMERIC BIGUANIDE COMPOUNDS AND THEIR USES CHEN HWANG HSING (US) 2019-12-12 US claimed
US-12010996-B2 Tris-substituted biguanide compounds and their uses CHEN HWANG HSING (US) 2024-06-18 US disclosed
CN-114957658-B Polycondensation type thermosetting resin prepolymer and application method thereof 西南林业大学 2023-02-24 CN disclosed
CN-114957658-A Polycondensation type thermosetting resin prepolymer and application method thereof 西南林业大学 2022-08-30 CN disclosed
US-20220015366-A1 TRIS-SUBSTITUTED BIGUANIDE COMPOUNDS AND THEIR USES CHEN HWANG HSING (US) 2022-01-20 US disclosed
US-11044912-B2 Branched polymeric biguanide compounds and their uses CHEN HWANG HSING (US) 2021-06-29 US disclosed
US-20190373895-A1 BRANCHED POLYMERIC BIGUANIDE COMPOUNDS AND THEIR USES CHEN HWANG HSING (US) 2019-12-12 US disclosed
EP-1023398-B1 STABLE WATERBORNE POLYMER COMPOSITIONS CONTAINING POLY(ALKYLENEIMINES) EASTMAN CHEM CO (US) 2002-12-18 EP disclosed
EP-1140866-A1 TAHM/PIBMALA DISPERSANTS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-10-10 EP disclosed
US-6284717-B1 REACTION PRODUCT OF A MODIFIED POLYOLEFIN AND TRIAMINOTRIAZOLE COMPOUND INFINEUM USA L.P. 2001-09-04 US disclosed
WO-2000037449-A1 TAHM/PIBMALA DISPERSANTS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2000-06-29 WO disclosed
EP-0510117-A4 MODIFIED POLYOXYETHYLENE EPOXY RESIN AMPHIPHILES AND STABLE AQUEOUS EPOXY DISPERSIONS THEREOF 1993-02-03 EP disclosed
EP-0510117-A1 MODIFIED POLYOXYETHYLENE EPOXY RESIN AMPHIPHILES AND STABLE AQUEOUS EPOXY DISPERSIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1992-10-28 EP disclosed
EP-0496163-A1 Stable amine advanced epoxy resin compositions THE DOW CHEMICAL COMPANY (US) 1992-07-29 EP disclosed
EP-0491550-A2 Water-emulsifiable epoxy resin composition THE DOW CHEMICAL COMPANY (US) 1992-06-24 EP disclosed
EP-0240867-B1 PROCESS FOR THE PREPARATION OF AMINOALKYL- OR -ARYLMELAMINES BASF Aktiengesellschaft (DE) 1992-02-19 EP disclosed
WO-1991010695-A1 MODIFIED POLYOXYETHYLENE EPOXY RESIN AMPHIPHILES AND STABLE AQUEOUS EPOXY DISPERSIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1991-07-25 WO disclosed
EP-0240867-A1 Process for the preparation of aminoalkyl- or -arylmelamines BASF Aktiengesellschaft (DE) 1987-10-14 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 (4 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-11044912-B2 Branched polymeric biguanide compounds and their uses PUF60, XRCC6, PCNA HTR1A 4174/4885DRD2 463/4885HTR2A 1690/4885
US-20220015366-A1 TRIS-SUBSTITUTED BIGUANIDE COMPOUNDS AND THEIR USES PUF60, KCNN1, XRCC6 HTR1A 4778/4885DRD2 1081/4885HTR2A 4322/4885
US-12010996-B2 Tris-substituted biguanide compounds and their uses PUF60, KCNN1, XRCC6 HTR1A 4778/4885DRD2 1081/4885HTR2A 4322/4885
US-20190373895-A1 BRANCHED POLYMERIC BIGUANIDE COMPOUNDS AND THEIR USES PUF60, XRCC6, PCNA HTR1A 4174/4885DRD2 463/4885HTR2A 1690/4885

“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.