SCHEMBL10200693

SCHEMBL10200693

CN(c1ccc2c(n1)OCCNC2)C1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
PDE6D O43924 1/20 0.30
PDE6A P16499 1/20 0.30
PDE6G P18545 1/20 0.30
PDE6B P35913 1/20 0.30
PDE6C P51160 1/20 0.30
PDE6H Q13956 1/20 0.30
PDE10A Q9Y233 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TIPARP Q7Z3E1 1/20 0.30
APEX1 P27695 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
EHMT1 Q9H9B1 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
Hydrochloric Acid SCHEMBL2109934 0.99 LMNA (0.31) LMNASMN1; SMN2EGLN1PDE6DPDE6A
SCHEMBL10200699 0.94 FLT3 (0.30)
Bromide SCHEMBL2112545 0.92
SCHEMBL10200706 0.92 JAK3 (0.33) LMNASMN1; SMN2ALDH1A1
SCHEMBL10200712 0.91 JAK3 (0.35) LMNASMN1; SMN2ALDH1A1
Bromide SCHEMBL2111881 0.91 JAK3 (0.33) LMNASMN1; SMN2ALDH1A1
SCHEMBL10200020 0.90 JAK3 (0.37) LMNASMN1; SMN2ALDH1A1
Bromide SCHEMBL2110083 0.90 JAK3 (0.34) LMNASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL2110358 0.81 JAK3 (0.37) LMNASMN1; SMN2ALDH1A1
SCHEMBL10200689 0.81 NCF1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B LMNA 3117/4885SMN1; SMN2 3017/4885EGLN1 790/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B LMNA 3117/4885SMN1; SMN2 3017/4885EGLN1 790/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B LMNA 3117/4885SMN1; SMN2 3017/4885EGLN1 790/4885

“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.