SCHEMBL2762425

SCHEMBL2762425

COc1ccc(C(=O)N2CCC3(CCN(C)CC3)CC2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HIF1A Q16665 1/20 0.53
CYP2D6 P10635 3/20 0.51
JAK2 O60674 1/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PDE5A O76074 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CPS1 P31327 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
USP2 O75604 4/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2762664 0.90 MAPK1 (0.62) MAPK1KMT2AMEN1HIF1ACYP2D6
Hydrochloric Acid SCHEMBL2763425 0.89 MAPK1 (0.60) MAPK1KMT2AMEN1HIF1ACYP2D6
SCHEMBL2762044 0.85 MAPK1 (0.55) MAPK1HIF1ACYP2D6KDM4EPDE5A
Trifluoroacetic Acid SCHEMBL2762337 0.85 MAPK1 (0.56) MAPK1KMT2AMEN1HIF1ACYP2D6
SCHEMBL8324482 0.81 HPGD (0.63) MAPK1KMT2AMEN1LMNAHTT
SCHEMBL2762440 0.80 HTT (0.52) MAPK1KMT2AMEN1HTTKDM4E
SCHEMBL2762036 0.80 HTR1A (0.57) CYP2D6ALDH1A1CYP2C9CYP2C19USP2
SCHEMBL2761934 0.78 GABRD (0.60) CYP2D6KDM4E
SCHEMBL11951819 0.76 KDM4E (0.40) MAPK1KMT2AMEN1CYP2D6JAK2
SCHEMBL16134867 0.76 POLB (0.70) MAPK1KMT2ALMNAHTTKDM4E

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
US-8268853-B2 3,9-diazaspiro[5,5]undecane amides and ureas and methods of use thereof ABBOTT LABORATORIES (US) 2012-09-18 US claimed
US-20100331353-A1 3,9-DIAZASPIRO[5,5]UNDECANE AMIDES AND UREAS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-12-30 US claimed
WO-2010151815-A2 3,9-DIAZASPIRO[5,5]UNDECANE AMIDES AND UREAS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-12-29 WO claimed
US-8268853-B2 3,9-diazaspiro[5,5]undecane amides and ureas and methods of use thereof ABBOTT LABORATORIES (US) 2012-09-18 US disclosed
US-20100331353-A1 3,9-DIAZASPIRO[5,5]UNDECANE AMIDES AND UREAS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-12-30 US disclosed
WO-2010151815-A2 3,9-DIAZASPIRO[5,5]UNDECANE AMIDES AND UREAS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-12-29 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-20100331353-A1 3,9-DIAZASPIRO[5,5]UNDECANE AMIDES AND UREAS AND METHODS OF USE THEREOF CHRNA9, CHRNE, CHRNA2 MAPK1 3195/4885KMT2A 3308/4885MEN1 4472/4885

“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.