SCHEMBL3817869

SCHEMBL3817869

O=[N+]([O-])c1cc(C2=CCNCC2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
HTR2C P28335 8/20 0.49
QDPR P09417 3/20 0.49
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.44
KHK P50053 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
VCAM1 P19320 1/20 0.42
HTR6 P50406 2/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL5817998 0.83 TDP1 (0.57) SIGMAR1HTR2CQDPRALDH1A1KHK
SCHEMBL5064343 0.81 QDPR (0.49) SIGMAR1HTR2CQDPRKHKMAPT
Hydrochloric Acid SCHEMBL31091839 0.80 QDPR (0.48) SIGMAR1HTR2CQDPRKHKMAPT
SCHEMBL3383939 0.79 HTR2C (0.62) SIGMAR1HTR2CQDPRKHKHTR6
SCHEMBL3435634 0.78 HTR6 (0.44) SIGMAR1HTR2CQDPRALDH1A1MAPT
SCHEMBL522135 0.77 QDPR (0.62) SIGMAR1HTR2CQDPRALDH1A1KHK
SCHEMBL4789631 0.77 HTR2C (0.56) SIGMAR1HTR2CQDPRKHKHTR6
Hydrochloric Acid SCHEMBL6371753 0.77 HTR2C (0.64) SIGMAR1HTR2CQDPRKHKHTR6
Hydrochloric Acid SCHEMBL521660 0.76 QDPR (0.61) SIGMAR1HTR2CQDPRALDH1A1KHK
SCHEMBL28538188 0.76 MAPT (0.49) SIGMAR1HTR2CQDPRALDH1A1KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708704-A4 4-ARYL PIPERIDINES LUNDBECK & CO AS H (DK) 2009-08-05 EP disclosed
EP-1708704-A2 4-ARYL PIPERIDINES H.Lundbeck A/S (DK) 2006-10-11 EP disclosed
WO-2005069834-A2 4-ARYL PIPERIDINES H. LUNDBECK A/S (DK) 2005-08-04 WO disclosed
US-20050154020-A1 4-Aryl piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2005-07-14 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-20050154020-A1 4-Aryl piperidines MCHR1, MCHR2, MC1R SIGMAR1 94/4885HTR2C 26/4885QDPR 221/4885

“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.