SCHEMBL7128344

SCHEMBL7128344

O=[N+]([O-])C=C1NCCCC1Cc1ccc(Cl)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.57
CHRNA1 P02708 1/20 0.57
CHRNA7 P36544 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
ALDH1A1 P00352 3/20 0.42
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
TRPA1 O75762 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL7122960 0.93 SMN1; SMN2 (0.57) CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2
SCHEMBL9025575 0.89 CHRNA3 (0.53) CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2
SCHEMBL7664585 0.82 SMN1; SMN2 (0.52) CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2
SCHEMBL7124862 0.78 CHRNA1 (0.36) CHRNA3CHRNA1CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL7124857 0.78 CHRNA1 (0.36) CHRNA3CHRNA1CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL1747707 0.78 CHRNA3 (0.47) CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2
SCHEMBL12778028 0.78 CHRNA3 (0.47) CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2
SCHEMBL7118289 0.76 CHRNA3 (0.50) CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2
SCHEMBL17768339 0.75 SMN1; SMN2 (0.55) CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2
SCHEMBL7121435 0.73 SMN1; SMN2 (0.52) CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664248-B2 Well tolerated by animals, fish and plants SYNGENTA INVESTMENT CORP. 2003-12-16 US claimed
US-20030166635-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2003-09-04 US claimed
US-20020068733-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2002-06-06 US claimed
US-6353001-B1 PESTICIDES, INSECTICIDES, APHIDICIDES AND LARVICIDES SYNGENTA INVESTMENT CORPORATION 2002-03-05 US claimed
EP-0693066-B1 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-16 EP claimed
EP-0693066-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES Novartis AG (CH) 1996-01-24 EP claimed
WO-1994024124-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-10-27 WO claimed
US-6664248-B2 Well tolerated by animals, fish and plants SYNGENTA INVESTMENT CORP. 2003-12-16 US disclosed
US-20030166635-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2003-09-04 US disclosed
US-6506743-B2 Especially for controlling insects. SYNGENTA INVESTMENT CORPORATION 2003-01-14 US disclosed
US-20020068733-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2002-06-06 US disclosed
US-6353001-B1 PESTICIDES, INSECTICIDES, APHIDICIDES AND LARVICIDES SYNGENTA INVESTMENT CORPORATION 2002-03-05 US disclosed
EP-0693066-B1 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-16 EP disclosed
US-6048824-A 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides NOVARTIS CORPORATION (US) 2000-04-11 US disclosed
EP-0693066-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES Novartis AG (CH) 1996-01-24 EP disclosed
WO-1994024124-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-10-27 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 (2 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-20020068733-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides HCN1, HCN2, CNTN1 CHRNA3 162/4885CHRNA1 232/4885CHRNA7 285/4885
US-20030166635-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides HCN1, HCN2, CNTN1 CHRNA3 141/4885CHRNA1 209/4885CHRNA7 275/4885

“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.