SCHEMBL2698652

SCHEMBL2698652

CC(N)(OCCF)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
TAAR1 Q96RJ0 2/20 0.45
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
TACR1 P25103 1/20 0.41
KCNN4 O15554 1/20 0.38
SLC6A2 P23975 1/20 0.36
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.33
TSHR P16473 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
SCHEMBL30184759 0.82 KIF11 (0.42) KIF11TAAR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3685988 0.78 TAAR1 (0.45) KIF11TAAR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2701328 0.77 TACR1 (0.51) KIF11TAAR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL29157443 0.75 KIF11 (0.47) KIF11TAAR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL18766166 0.72 KIF11 (0.64) KIF11TAAR1MAPK1SMN1; SMN2ALDH1A1
Ethylenediamine SCHEMBL28560172 0.71 MAPK1 (0.77) KIF11TAAR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2698651 0.71 TAAR1 (0.42) KIF11TAAR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3478682 0.70 MAPK1 (0.48) TAAR1MAPK1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL2700899 0.70 MAPK1 (0.48) TAAR1MAPK1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL24011649 0.69 MAPK1 (0.48) KIF11TAAR1MAPK1SMN1; SMN2ALDH1A1

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-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 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-20100286202-A1 New Compounds REN, PCSK9, FURIN KIF11 1305/4885TAAR1 4096/4885MAPK1 3756/4885

“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.