SCHEMBL179758

SCHEMBL179758

CC1CC=NN1C(=O)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.66
ALDH1A1 P00352 2/20 0.52
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
MAPK1 P28482 1/20 0.46
PIK3CD O00329 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.44
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL179757 1.00 RIPK1 (0.66) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL29595423 1.00 RIPK1 (0.66) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL2481688 1.00 RIPK1 (0.66) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9378435 0.82 RIPK1 (0.62) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9378268 0.82 RIPK1 (0.62) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9378120 0.81 RIPK1 (0.88) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9379168 0.81 RIPK1 (0.63) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9383151 0.80 RIPK1 (0.59) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL12204414 0.80 RIPK1 (0.62) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9370134 0.80 RIPK1 (1.00) RIPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908850-A1 Target for therapy of cognitive impairment The Johns Hopkins University (US) 2008-04-09 EP claimed
EP-1649857-A2 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2006-04-26 EP claimed
US-20060014801-A1 Prevention and treatment of cognitive impairment using (R)-(-)-5-methyl-1-nicotynoyl-2-pyrazoline (MNP) and analogs THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-19 US claimed
EP-1586321-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2005-10-19 EP claimed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP claimed
EP-0322691-B1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS (JP) 1994-06-15 EP claimed
EP-0295695-B1 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1994-06-08 EP claimed
EP-0373512-B1 (-)-2-PYRAZOLINE COMPOUND, OPTICAL RESOLUTION OF THE SAME, AND THERAPEUTIC AGENT FOR CEREBROVASCULAR DISORDERS CONTAINING THE SAME AS EFFECTIVE INGREDIENT MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-04-08 EP claimed
US-5089622-A (-)-2-PYRAZOLINE COMPOUNDS AND THERAPEUTIC AGENT FOR CEREBROVASCULAR DISORDERS CONTAINING THE SAME AS EFFECTIVE INGREDIENT MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1992-02-18 US claimed
US-5075449-A Using compound containing sulfonate group MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-24 US claimed
EP-0373512-A1 (-)-2-pyrazoline compound, optical resolution of the same, and therapeutic agent for cerebrovascular disorders containing the same as effective ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-20 EP claimed
US-4895947-A Process for producing 1-acyl-2-pyrazoline derivative MITSUI TOATSU CHEMICALS, INC. (JP) 1990-01-23 US claimed
EP-0322691-A1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-07-05 EP claimed
JP-2157276-A None JP disclosed
JP-11292764-A None JP disclosed
JP-2202885-A None JP disclosed
US-4895947-A Process for producing 1-acyl-2-pyrazoline derivative MITSUI TOATSU CHEMICALS, INC. (JP) 1990-01-23 US disclosed
EP-0322691-A1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-07-05 EP disclosed
US-4839376-A Pyrazoline derivatives for treating cerebrovascular diseases MITSUI TOATSU CHEMICALS, INC. (JP) 1989-06-13 US disclosed
EP-0295695-A2 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-12-21 EP 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-20060014801-A1 Prevention and treatment of cognitive impairment using (R)-(-)-5-methyl-1-nicotynoyl-2-pyrazoline (MNP) and analogs NNMT, NNT, SIRT5 RIPK1 914/4885ALDH1A1 2071/4885CHRNB2 52/4885

“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.