SCHEMBL6843910

SCHEMBL6843910

NNC(=O)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 2/20 0.47
EPHX2 P34913 1/20 0.47
CHKA P35790 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA6 Q15825 1/20 0.45
SIGMAR1 Q99720 2/20 0.39
HSD11B1 P28845 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.38
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL1843054 0.82
SCHEMBL5072572 0.82 POLB (0.52) POLBKMT2ACYP1A2
Tert-Butyl Formate SCHEMBL27990929 0.80 TDP1 (0.39) CA2CA12CA1CA9POLB
SCHEMBL918917 0.78 CA2 (0.50) CA2CA12CA1CA9POLB
SCHEMBL10723702 0.77 CA2 (0.45) CA2CA12CA1CA9POLB
SCHEMBL8746907 0.77
SCHEMBL16740618 0.77 KMT2A (0.45) CA2CA12CA1CA9POLB
SCHEMBL5257 0.76 POLB (0.68) CA2CA12CA1CA9POLB
SCHEMBL13292855 0.76 CA2 (0.48) CA2CA12CA1CA9POLB
SCHEMBL10837140 0.76 CHRNB2 (0.45) CA2CA12CA1CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384140-B Benzimidazole derivative and application thereof 沈阳药科大学 2024-10-11 CN claimed
CN-117384140-A Benzimidazole derivative and application thereof 沈阳药科大学 2024-01-12 CN claimed
CN-110759911-A Carboline derivative, preparation method thereof and application thereof in preventing and treating plant viruses, killing bacteria and killing insects 南开大学 2020-02-07 CN claimed
EP-1067969-B1 POLYENE MACROLIDE DERIVATIVES, USE FOR VECTORING MOLECULES UNIV PARIS CURIE (FR) 2003-07-23 EP claimed
EP-1067969-A1 POLYENE MACROLIDE DERIVATIVES, USE FOR VECTORING MOLECULES UNIVERSITE PIERRE ET MARIE CURIE PARIS VI (FR) 2001-01-17 EP claimed
WO-1999051274-A1 POLYENE MACROLIDE DERIVATIVES, USE FOR VECTORING MOLECULES UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 1999-10-14 WO claimed
CN-117384140-B Benzimidazole derivative and application thereof 沈阳药科大学 2024-10-11 CN disclosed
CN-117384140-A Benzimidazole derivative and application thereof 沈阳药科大学 2024-01-12 CN disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
CN-105831175-B A kind of liquid compound bio controls bactericide and preparation method and application more 鞍山禾瑞生物科技有限公司 2018-03-20 CN disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
US-20040002465-A1 Polyene macrolide derivatives, use for vectoring molecules UNIVERSITE PIERRE ET MARIE CURIE (FR) 2004-01-01 US disclosed
EP-1067969-B1 POLYENE MACROLIDE DERIVATIVES, USE FOR VECTORING MOLECULES UNIV PARIS CURIE (FR) 2003-07-23 EP disclosed
EP-1067969-A1 POLYENE MACROLIDE DERIVATIVES, USE FOR VECTORING MOLECULES UNIVERSITE PIERRE ET MARIE CURIE PARIS VI (FR) 2001-01-17 EP disclosed
WO-1999051274-A1 POLYENE MACROLIDE DERIVATIVES, USE FOR VECTORING MOLECULES UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 1999-10-14 WO disclosed
US-5859011-A Dihydropyridine derivatives as bradykinin antagonist PFIZER INC. (US) 1999-01-12 US disclosed
CN-1156449-A Dihygropyridine derivatives as bradykinin antagonists PFIZER (US) 1997-08-06 CN disclosed
EP-0777653-A1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO disclosed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 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 (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-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 CA2 4277/4885CA12 4842/4885CA1 4354/4885

“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.