SCHEMBL7128805

SCHEMBL7128805

CN1CCC(Cc2ccc(Cl)nc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42
CHRNA3 P32297 3/20 0.40
TRPA1 O75762 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL28748504 0.84 CHRNB1 (0.37) ALDH1A1KMT2AMEN1CHRNA3CHRNB2
SCHEMBL7121435 0.78 SMN1; SMN2 (0.52) ALDH1A1KMT2AMEN1ATMCHRNA3
SCHEMBL7122500 0.77 KMT2A (0.46) ALDH1A1KMT2AMEN1ATMCHRNA3
SCHEMBL28994675 0.76 CHRNA7 (0.49) ALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL31296350 0.74 ROCK2 (0.52)
SCHEMBL5088875 0.74 HSD11B1 (0.59) ALDH1A1KMT2A
SCHEMBL30630153 0.72 CHRNB2 (0.48) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL22229946 0.72 CHRNB2 (0.48) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL7126821 0.71 PSEN1 (0.45) ALDH1A1CHRNA3TRPA1CHRNB2CHRNA4
SCHEMBL7118289 0.71 CHRNA3 (0.50) ALDH1A1KMT2ACHRNA3CHRNB2CHRNA4

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 9 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 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 ALDH1A1 1215/4885KMT2A 2135/4885MEN1 1527/4885
US-20030166635-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides HCN1, HCN2, CNTN1 ALDH1A1 1308/4885KMT2A 2316/4885MEN1 1598/4885

“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.