SCHEMBL10200328

SCHEMBL10200328

CN(C)c1ccc(-c2ccc3c(n2)OCCNC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.36
APP P05067 8/20 0.35
NOTUM Q6P988 1/20 0.34
PARP1 P09874 1/20 0.34
WNT3A P56704 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR1 P21453 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
Trifluoroacetic Acid SCHEMBL2110537 0.90 PARP1 (0.35) ADKAPPNOTUMPARP1
Tromethamine SCHEMBL15936380 0.89 PARP1 (0.33) ADKAPPPARP1S1PR1
SCHEMBL2111484 0.85 ENPP3 (0.34) MAOAMAOBKDM4EALDH1A1S1PR1
SCHEMBL2110562 0.82 MAPK13 (0.36)
SCHEMBL2110366 0.82 PNMT (0.37) S1PR1SMN1; SMN2
SCHEMBL2109259 0.82 HTR2C (0.38) MAOBALDH1A1CYP3A4
SCHEMBL2110616 0.82 NISCH (0.35) S1PR1
SCHEMBL2112532 0.82 KDM4E (0.40) MAPTKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL2112997 0.81 HTR2C (0.38) MAOBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL10200406 0.81 PKN2 (0.38) MAPTCYP1A2TP53CYP3A4CYP2D6

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 10 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
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 ADK 939/4885APP 2995/4885NOTUM 2209/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B ADK 939/4885APP 2995/4885NOTUM 2209/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ADK 939/4885APP 2995/4885NOTUM 2209/4885

“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.