SCHEMBL8736858

SCHEMBL8736858

O=Nc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDR P35968 1/20 0.40
ACLY P53396 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HTR7 P34969 1/20 0.39
ADRB1 P08588 1/20 0.39
OPRL1 P41146 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
SCHEMBL12848675 0.83 ALDH1A1 (0.54) MAPTGAAALDH1A1SMN1; SMN2
SCHEMBL29037852 0.81 KDM4E (0.50) MAPTLMNAALDH1A1SMN1; SMN2HTR3E
SCHEMBL12128903 0.81 HPGD (0.52) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8737585 0.81 HTR3A (0.56) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28239107 0.80 NCF1 (0.45) MAPTALDH1A1HTR3EHTR3BHTR3A
SCHEMBL8737447 0.79 ALDH1A1 (0.48) LMNAALDH1A1HTR3EHTR3BHTR3A
SCHEMBL29557426 0.78 KDR (0.53) MAPTLMNAGAAALDH1A1KDR
SCHEMBL233938 0.78 KDR (0.53) MAPTLMNAGAAALDH1A1KDR
SCHEMBL12464187 0.77 ALDH1A1 (0.48) MAPTLMNAGAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4331979 0.76 KDR (0.51) MAPTLMNAGAAALDH1A1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R MAPT 3568/4885LMNA 3751/4885GAA 2549/4885

“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.