SCHEMBL2550320

SCHEMBL2550320

NCCCCCN1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.70
▸ DRD2 P14416 4/20 0.66
▸ HTR2A P28223 4/20 0.66
▸ KMT2A Q03164 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ KCNA5 P22460 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55

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
SCHEMBL2549342 0.98 SIGMAR1 (0.72) SIGMAR1DRD2HTR2AKMT2AMEN1
Hydrochloric Acid SCHEMBL7982019 0.97 SIGMAR1 (0.70) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL7972984 0.94 DRD2 (0.69) SIGMAR1DRD2HTR2AKMT2AMEN1
Hydrochloric Acid SCHEMBL7983779 0.93 DRD2 (0.68) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL10153569 0.88 KMT2A (0.69) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL18770805 0.88 DRD2 (0.82) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL10724043 0.85 SIGMAR1 (0.70) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL10723980 0.85 SIGMAR1 (0.70) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL10722011 0.85 SIGMAR1 (0.70) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL30671731 0.84 SIGMAR1 (0.97) SIGMAR1DRD2HTR2AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
CN-116332917-A Pyridine cyanoguanidine derivative and application thereof 王喆明 2023-06-27 — — CN disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 — — US disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 — — US disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 — — US disclosed
WO-2011121055-A1 PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY TOPOTARGET A/S (DK) 2011-10-06 — — WO disclosed
WO-2011121055-A1 PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY TOPOTARGET A/S (DK) 2011-10-06 — — 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 (3 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-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNMT SIGMAR1 3861/4885DRD2 1634/4885HTR2A 1216/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT SIGMAR1 3950/4885DRD2 1688/4885HTR2A 1275/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT SIGMAR1 3950/4885DRD2 1688/4885HTR2A 1275/4885

“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.

Send feedback