SCHEMBL10249536

SCHEMBL10249536

OCC1CCN(c2ccc3c(n2)OCCNC3)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.38
PDE2A O00408 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE4D Q08499 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
HSD11B1 P28845 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL10199989 0.85 HTR2C (0.49) HTR2AHTR2CHRH4
SCHEMBL2110389 0.84 HTR2C (0.35) HTR2AHTR2C
Hydrochloric Acid SCHEMBL2108664 0.83 HTR2C (0.48) HTR2AHTR2C
SCHEMBL2113003 0.82 HTR2C (0.42) HTR2AHTR2CHRH4
SCHEMBL10200153 0.81 HTR2A (0.33) HTR2AHTR2C
SCHEMBL10200491 0.81 MAP4K4 (0.42) HTR2AHTR2CATRATRIP
SCHEMBL10200063 0.81 PARP1 (0.42) HTR2AHTR2C
SCHEMBL2110161 0.81 HTR2A (0.41) HTR2AHTR2CATRATRIPHRH4
SCHEMBL2110759 0.81 HTR2C (0.41) HTR2AHTR2CHRH4
SCHEMBL2109063 0.81 HTR2C (0.41) HTR2AHTR2CHRH4

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 7 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-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-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP 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 PDE10A 909/4885PDE2A 582/4885PDE1B 917/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B PDE10A 909/4885PDE2A 582/4885PDE1B 917/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B PDE10A 909/4885PDE2A 582/4885PDE1B 917/4885

“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.