SCHEMBL16614241

SCHEMBL16614241

O=C1NCC2(CCN(C(=O)CBr)CC2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
DRD1 P21728 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
HDAC1 Q13547 3/20 0.36
CYP11B2 P19099 1/20 0.34
CDK8 P49336 6/20 0.33
CDK19 Q9BWU1 6/20 0.33
SMO Q99835 1/20 0.33
KCNH2 Q12809 2/20 0.33
CCNC P24863 4/20 0.33
CHRNA7 P36544 2/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4141809 0.84 LMNA (0.45) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL16001316 0.84 TSHR (0.45) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL670308 0.82 LMNA (0.51) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL23131110 0.81 LMNA (0.47) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL18072235 0.81 TSHR (0.47) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL22174114 0.77 LMNA (0.44) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL1911519 0.77 LMNA (0.44) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL12459635 0.76 LMNA (0.46) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL371222 0.74 USP2 (0.45) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL519126 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 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-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 LMNA 1232/4885CHRM2 4679/4885ADRA2A 3941/4885

“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.