SCHEMBL903158

SCHEMBL903158

CC(C)/C=C/C(=O)N1CCC(c2ccnc3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.42
IDO1 P14902 5/20 0.41
TDO2 P48775 4/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.39
THRB P10828 1/20 0.39
PREP P48147 3/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FAP Q12884 1/20 0.38
CAMKK1 Q8N5S9 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38

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
SCHEMBL15152945 1.00 MAPK7 (0.42) MAPK7IDO1TDO2TP53MAPT
SCHEMBL30333713 0.86 IDO1 (0.42) MAPK7IDO1TDO2TP53MAPT
SCHEMBL21138051 0.81 KDM4E (0.55) MAPK7IDO1TDO2TP53MAPT
SCHEMBL4964417 0.80 IDO1 (0.47) MAPK7IDO1TDO2TP53MAPT
SCHEMBL15286422 0.78 BCHE (0.43) BCHE
SCHEMBL15286420 0.78 BCHE (0.43) BCHE
SCHEMBL15152933 0.78 JAK3 (0.41) KDM4EALDH1A1PREPMEN1KMT2A
SCHEMBL18687053 0.78 JAK3 (0.41) KDM4EALDH1A1PREPMEN1KMT2A
SCHEMBL15152936 0.78 JAK3 (0.41) KDM4EALDH1A1PREPMEN1KMT2A
SCHEMBL903233 0.78 JAK3 (0.41) KDM4EALDH1A1PREPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS MAPK7 3929/4885IDO1 1034/4885TDO2 3093/4885

“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.