SCHEMBL5795235

SCHEMBL5795235

Cc1c(C(=O)N2CCNCC2)nnn1CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 10/20 0.53
KCNH2 Q12809 9/20 0.53
HRH3 Q9Y5N1 3/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL8835042 0.94 KCNJ1 (0.47) KCNJ1KCNH2HRH3MAPTKMT2A
SCHEMBL6071728 0.74 CYP19A1 (0.48) KMT2ASIGMAR1
SCHEMBL5795346 0.72 KDM1A (0.48) MAPTKMT2AALDH1A1POLB
SCHEMBL5795242 0.72 KCNJ1 (0.46) KCNJ1KCNH2HRH3SIGMAR1
SCHEMBL6072350 0.71 ALDH1A1 (0.39) HRH3KMT2ASIGMAR1KDM4EALDH1A1
SCHEMBL2723268 0.71 KCNJ1 (1.00) KCNJ1KCNH2HRH3MAPTSIGMAR1
SCHEMBL6071882 0.70 CYP19A1 (0.45) KMT2ASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL286767 0.70 KCNJ1 (0.97) KCNJ1KCNH2HRH3MAPTSIGMAR1
SCHEMBL9015442 0.70 KCNJ1 (0.97) KCNJ1KCNH2HRH3MAPTSIGMAR1
SCHEMBL8554661 0.70 KCNJ1 (0.97) KCNJ1KCNH2HRH3MAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US claimed
WO-1997040025-A1 SOLID PHASE AND COMBINATORIAL SYNTHESIS OF SUBSTITUTED 1,2,3-TRIAZOLES AND OF ARRAYS OF SUBSTITUTED 1,2,3-TRIAZOLES NOVO NORDISK A/S (DK) 1997-10-30 WO claimed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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 (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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 KCNJ1 72/4885KCNH2 66/4885HRH3 322/4885

“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.