SCHEMBL9929676

SCHEMBL9929676

C[C@H]1CCNC[C@@H]1OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRA4 P48169 1/20 0.32
EPHX1 P07099 1/20 0.31
SSTR1 P30872 1/20 0.30
SSTR4 P31391 1/20 0.30

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
SCHEMBL28930445 1.00 ATM (0.36) ATMKDM4EMAPTKMT2ACYP2D6
SCHEMBL28574784 1.00 ATM (0.36) ATMKDM4EMAPTKMT2ACYP2D6
SCHEMBL28574783 1.00 ATM (0.36) ATMKDM4EMAPTKMT2ACYP2D6
SCHEMBL28630053 0.85 ATM (0.36) ATMKDM4EMAPTKMT2ACYP2D6
SCHEMBL27501868 0.83 CHRM2 (0.39) KMT2ACYP2D6SLC6A1GABRA5GABRB2
SCHEMBL28647602 0.82 FUCA1 (0.35) ATM
SCHEMBL28647605 0.82 FUCA1 (0.35) ATM
SCHEMBL6500331 0.82 KDM4E (0.39) ATMKDM4EMAPTKMT2ACYP2D6
Hydrochloric Acid SCHEMBL28784254 0.81 CHRM2 (0.38) KMT2ACYP2D6SLC6A1GABRA5GABRB2
Hydrochloric Acid SCHEMBL6500560 0.81 KDM4E (0.38) ATMKDM4EMAPTKMT2ACYP2D6

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-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 US disclosed
EP-2485589-A1 HETEROARYL BTK INHIBITORS Biogen Idec MA Inc. (US) 2012-08-15 EP disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 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-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK ATM 1161/4885KDM4E 919/4885MAPT 4234/4885

“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.