Piperidine

Piperidine

SCHEMBL3903114

C1CCNCC1.O=C(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.56
AKR1B1 P15121 2/20 0.49
AKR1C4 P17516 2/20 0.49
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
AKR1C1 Q04828 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 5/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 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
SCHEMBL442397 0.88 HPD (0.60) HPDAKR1B1AKR1C4AKR1C3AKR1C2
Ammonia Solution, Strong SCHEMBL28953061 0.86 HPD (0.59) HPDAKR1B1AKR1C4AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL11776053 0.86 HPD (0.59) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL3904110 0.81 HPD (0.52) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL22749348 0.80 ALDH1A1 (0.72) HPDAKR1B1AKR1C4AKR1C3AKR1C2
Piperazine SCHEMBL28754151 0.80 HPD (0.51) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL6224986 0.77 AKR1B1 (0.51) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL8942455 0.76 MAPT (0.49) HPDAKR1B1AKR1C4AKR1C3AKR1C2
Azepane SCHEMBL2880906 0.76 TSHR (0.51) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL8492000 0.76 MAPT (0.49) HPDAKR1B1AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US 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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR HPD 3505/4885AKR1B1 3714/4885AKR1C4 4614/4885

“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.