SCHEMBL15670258

SCHEMBL15670258

c1ccc2c(C[C@H]3CN[C@@H](Cc4cccc5ccccc45)CN3)cccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.64
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 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
SCHEMBL27999350 0.98 CYP2D6 (0.66) CYP2D6MAPTALDH1A1MEN1HPGD
Hydrochloric Acid SCHEMBL7852745 0.82 CYP2D6 (0.56) CYP2D6MAPTALDH1A1MEN1HPGD
SCHEMBL31392632 0.80 CYP2D6 (0.61) CYP2D6ATM
SCHEMBL11358872 0.78 CYP2D6 (0.59) CYP2D6CYP1A2CYP2C19CYP2C9ATM
SCHEMBL27935272 0.78 CYP2D6 (1.00) CYP2D6MAPTALDH1A1MEN1HPGD
SCHEMBL3249871 0.76 CYP2D6 (0.61) CYP2D6MAPTALDH1A1MEN1HPGD
SCHEMBL1177022 0.76 CYP2D6 (0.56) CYP2D6MAPTALDH1A1MEN1HPGD
SCHEMBL28926014 0.73 CYP2D6 (0.58) CYP2D6MAPTALDH1A1MEN1HPGD
SCHEMBL11354054 0.73 CYP2D6 (0.62) CYP2D6MAPTALDH1A1MEN1HPGD
SCHEMBL27407167 0.73 CYP2D6 (0.53) CYP2D6MAPTALDH1A1MEN1HPGD

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
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 US disclosed
EP-2914582-A2 CHIRAL FLUORINATING REAGENTS Isis Innovation Limited (GB) 2015-09-09 EP disclosed
WO-2014068341-A2 CHIRAL FLUORINATING REAGENTS ISIS INNOVATION LIMITED (GB) 2014-05-08 WO 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-20150284401-A1 CHIRAL FLUORINATING REAGENTS TIAM1, AFF2, AFF1 CYP2D6 254/4885MAPT 3516/4885ALDH1A1 800/4885

“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.