SCHEMBL16216294

SCHEMBL16216294

N=C1CCC(c2ccc(OCCF)cc2)N1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.36
CRBN Q96SW2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KCNH2 Q12809 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL10305087 0.81 APP (0.36) APPALDH1A1MAPTKCNH2LMNA
SCHEMBL16216281 0.81 APP (0.36) APPALDH1A1MAPTKCNH2LMNA
Hydrochloric Acid SCHEMBL3118484 0.79 KCNH2 (0.36) APPALDH1A1MAPTKCNH2LMNA
Hydrochloric Acid SCHEMBL3118490 0.73 MAOA (0.36) APPALDH1A1MAPTKCNH2LMNA
SCHEMBL16216217 0.73 APP (0.36) APPALDH1A1MAPTKCNH2LMNA
SCHEMBL20323475 0.70 SLC18A3 (0.38) CRBN
SCHEMBL24240106 0.70 APP (0.37) APPALDH1A1MAPTKCNH2LMNA
SCHEMBL10457449 0.69 APP (0.59) APPALDH1A1KCNH2CA12CA1
SCHEMBL14458018 0.67 CRBN (0.40) CRBNALDH1A1MAPTLMNAPKM
SCHEMBL20852480 0.66 MAPT (0.35) CRBNALDH1A1MAPTLMNAPKM

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
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 APP 628/4885CRBN 999/4885ALDH1A1 2699/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 APP 628/4885CRBN 999/4885ALDH1A1 2699/4885

“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.