SCHEMBL10200293

SCHEMBL10200293

CCOc1ccccc1-c1ccc2c(n1)OCCNC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
ADRA1A P35348 2/20 0.39
ADRB2 P07550 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
STAT3 P40763 1/20 0.38
NCOA2 Q15596 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
HTR2C P28335 4/20 0.36
PDE5A O76074 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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 SCHEMBL2110708 0.91 SSTR4 (0.37) HTR2ASLC6A2SLC6A4SLC6A3ADRA1A
SCHEMBL10200214 0.78 CNR2 (0.36) HTR2AHTR2BHTR2C
SCHEMBL10200376 0.77 SSTR4 (0.38) KDM4EALDH1A1ENPP3ENPP1HTR2C
Hydrochloric Acid SCHEMBL2889139 0.76 CHRM3 (0.33) HTR2ASLC6A2SLC6A4SLC6A3ADRA1A
SCHEMBL10200260 0.76 IDO1 (0.40) HTR2ASLC6A2SLC6A4SLC6A3HTR2B
SCHEMBL4720534 0.76 SLC6A2 (0.47) HTR2ASLC6A2SLC6A4SLC6A3ADRA1A
SCHEMBL10200344 0.76 CNR2 (0.41) HTR2AHTR2BKDM4EALDH1A1HTR2C
SCHEMBL24843626 0.75 PDCD1LG2 (0.40)
SCHEMBL2109259 0.74 HTR2C (0.38) ALDH1A1HTR2CNPSR1MEN1CYP3A4
Hydrochloric Acid SCHEMBL2112997 0.73 HTR2C (0.38) ALDH1A1HTR2CNPSR1MEN1CYP3A4

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 HTR2A 4/4885SLC6A2 36/4885SLC6A4 21/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HTR2A 4/4885SLC6A2 36/4885SLC6A4 21/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2A 4/4885SLC6A2 36/4885SLC6A4 21/4885

“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.