SCHEMBL5774084

SCHEMBL5774084

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.58
DRD3 P35462 4/20 0.58
DRD4 P21917 3/20 0.58
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTR1A P08908 3/20 0.46
HTR2A P28223 3/20 0.46
HRH1 P35367 3/20 0.46
DRD1 P21728 2/20 0.46
DRD5 P21918 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR7 P34969 2/20 0.46
HTR2B P41595 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
HTR2C P28335 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46

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
SCHEMBL5772145 0.91 DRD2 (0.46) DRD2DRD3DRD4NPC1RAB9A
SCHEMBL5772700 0.90 DRD2 (0.45) DRD2DRD3DRD4MEN1MC4R
Trifluoroacetic Acid SCHEMBL5774077 0.81 POLB (0.51) NPC1RAB9AHTR1AHTR7MEN1
SCHEMBL5773468 0.81 LMNA (0.46) NPC1RAB9AMEN1KMT2A
SCHEMBL5776036 0.81 LMNA (0.46) NPC1RAB9AMEN1KMT2A
SCHEMBL5774738 0.81 LMNA (0.46) NPC1RAB9AMEN1KMT2A
SCHEMBL5774326 0.79 GABRA5 (0.39) NPC1RAB9AMEN1KMT2A
SCHEMBL5775324 0.79 TACR1 (0.46) RAB9AMEN1TACR1KMT2A
SCHEMBL5771554 0.78 GRIN2B (0.40) RAB9AMEN1ALOX15TSHRKMT2A
SCHEMBL5773696 0.78 CA12 (0.40) KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR DRD2 2788/4885DRD3 1183/4885DRD4 2268/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 DRD2 2833/4885DRD3 1681/4885DRD4 2538/4885

“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.