SCHEMBL4160667

SCHEMBL4160667

CN1CCN(c2cc[c]c(O)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.47
HTR3A P46098 1/20 0.46
SIRT6 Q8N6T7 1/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
PTK2B Q14289 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GFER P55789 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH4 Q9H3N8 2/20 0.41

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
SCHEMBL3587531 0.80 ADRA2C (0.49) ADRA2CHTR3AKDM4EGAAMAPT
SCHEMBL5884761 0.80 HTR3A (0.51) ADRA2CHTR3ASIRT6KDM4EGAA
SCHEMBL1639407 0.79 PRKDC (0.47) KDM4EMAPTMAPK1HTTKMT2A
SCHEMBL591377 0.79 ADRA2C (0.56) ADRA2CHTR3ASIRT6KDM4EGAA
SCHEMBL3511994 0.79 ADRA2C (0.47) ADRA2CHTR3AKDM4EGAAMAPT
SCHEMBL15475119 0.79 ADRA2C (0.47) ADRA2CHTR3ASIRT6KDM4EGAA
SCHEMBL4165953 0.76 ADRA2C (0.45) ADRA2CHTR3ASIRT6KDM4EGAA
SCHEMBL28701655 0.75 SIRT6 (0.46) ADRA2CHTR3ASIRT6KDM4EGAA
SCHEMBL15474579 0.73 CHKA (0.45) ADRA2CHTR3AKDM4EGAAMAPT
SCHEMBL589356 0.73 SIRT6 (0.55) SIRT6MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563351-A Substituted pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-10-21 CN disclosed
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 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 (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-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ADRA2C 842/4885HTR3A 1484/4885SIRT6 2923/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ADRA2C 842/4885HTR3A 1484/4885SIRT6 2923/4885

“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.