SCHEMBL312676

SCHEMBL312676

O=C(O)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
RBP4 P02753 1/20 0.42
KDM1A O60341 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
MGLL Q99685 1/20 0.41
MAOB P27338 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOA P21397 1/20 0.40
ADORA1 P30542 1/20 0.40
PIN1 Q13526 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
XDH P47989 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL15732495 0.88 P2RY14 (0.41) LMNAHTTSMN1; SMN2KCNH2GAA
SCHEMBL311477 0.86 HPGDS (0.48) POLBKDM4EMAPTHTT
SCHEMBL14608992 0.84 KCNH2 (0.47) KMOKDM1AMEN1KMT2APOLB
SCHEMBL5206565 0.84 KCNH2 (0.47) KMOKDM1AMEN1KMT2APOLB
SCHEMBL5205158 0.84 KCNH2 (0.47) KMOKDM1AMEN1KMT2APOLB
SCHEMBL15732597 0.83 POLB (0.43) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6168951 0.83 HTR2B (0.51) ACACBACACA
SCHEMBL12058969 0.82 CYP2D6 (0.49) RBP4KDM1AMEN1KMT2AMGLL
SCHEMBL3376376 0.82 KMO (0.45) KMORPS6KB1AKT1KCNH2
SCHEMBL5207210 0.81 KDM1A (0.55) KMOKDM1AMEN1KMT2APOLB

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
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 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 (2 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 KMO 4573/4885RBP4 3706/4885KDM1A 3854/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 KMO 4573/4885RBP4 3706/4885KDM1A 3854/4885

“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.