SCHEMBL3624322

SCHEMBL3624322

N#Cc1c(F)cc(Br)cc1N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.43
PIM2 Q9P1W9 2/20 0.43
PRKCQ Q04759 8/20 0.37
PRKCD Q05655 7/20 0.35
LMNA P02545 1/20 0.35
GBA1 P04062 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CNR1 P21554 1/20 0.35
TBXA2R P21731 1/20 0.35
HRH2 P25021 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHUK O15111 1/20 0.33
ROCK2 O75116 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
SCHEMBL3624321 1.00 PIM1 (0.43) PIM1PIM2PRKCQPRKCDLMNA
SCHEMBL28680437 0.93 TRPV4 (0.35) PIM1PIM2TDP1ROCK2
SCHEMBL14029994 0.87 KMT2A (0.40) CNR1TSHR
SCHEMBL29427903 0.83 MAPK1 (0.36) PIM1PIM2PRKCQPRKCD
SCHEMBL3631931 0.83 MAPK1 (0.36) PIM1PIM2PRKCQPRKCD
SCHEMBL12820367 0.81 SCN5A (0.35) PIM1PIM2
SCHEMBL3630162 0.78 BCL6 (0.36)
SCHEMBL5005536 0.78 PTGS1 (0.34) PIM1
SCHEMBL3630158 0.78 BCL6 (0.36)
SCHEMBL5005581 0.78 PTGS1 (0.36) PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011035416-A1 HSP90 MODULATING COMPOUNDS, COMPOSITIONS, METHODS AND USES AEGERA THERAPEUTICS INC. (CA) 2011-03-31 WO disclosed
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 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-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 PIM1 1557/4885PIM2 1558/4885PRKCQ 2773/4885

“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.