SCHEMBL4226255

SCHEMBL4226255

O=C(O)NCC1Cc2c(cccc2-c2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AIMP2 Q13155 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MTNR1A P48039 12/20 0.43
MTNR1B P49286 11/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL4226025 0.91 GPR52 (0.41) GPR52CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4595701 0.88 MTNR1A (0.44) SMN1; SMN2NPC1HPGDRAB9AMTNR1A
SCHEMBL4229500 0.87 MTNR1A (0.42) GPR52SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4225917 0.83 GPR52 (0.42) GPR52SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4225933 0.79 GPR52 (0.46) GPR52CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4228680 0.77 PRKAB2 (0.39) GPR52RAB9A
SCHEMBL5005619 0.75 OXTR (0.44) GPR52MTNR1AMTNR1BALDH1A1MEN1
SCHEMBL3296230 0.72 KDM4E (0.39) CYP1A2CYP2D6CYP2C9CYP2C19AIMP2
SCHEMBL4226257 0.72 HTR1A (0.40) GPR52SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4220864 0.72 PRKAB2 (0.43) GPR52SMN1; SMN2NPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A GPR52 67/4885CYP1A2 81/4885CYP2D6 162/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A GPR52 75/4885CYP1A2 140/4885CYP2D6 238/4885

“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.