SCHEMBL4225092

SCHEMBL4225092

O=C(O)N(Cc1ccccc1)CC1Cc2c(cccc2-c2ccccc2C(F)(F)F)O1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.48
AVPR1A P37288 5/20 0.48
GPR52 Q9Y2T5 1/20 0.40
HTT P42858 3/20 0.38
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37
MTNR1A P48039 6/20 0.37
MTNR1B P49286 6/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4232344 0.85 MTNR1A (0.41) OXTRAVPR1AMTNR1AMTNR1BLPAR1
SCHEMBL5005619 0.85 OXTR (0.44) OXTRAVPR1AGPR52MTNR1AMTNR1B
SCHEMBL6372240 0.83 OXTR (0.46) OXTRAVPR1AGPR52HTTRECQL
SCHEMBL6366935 0.83 TDP1 (0.42) OXTRAVPR1AMTNR1AMTNR1BLPAR1
SCHEMBL6368089 0.80 OXTR (0.46) OXTRAVPR1AGPR52MTNR1AMTNR1B
SCHEMBL4225917 0.78 GPR52 (0.42) GPR52HTTATMMTNR1AMTNR1B
SCHEMBL4219301 0.78 OXTR (0.43) OXTRAVPR1AGPR52HTTRECQL
SCHEMBL4223592 0.76 HTR2C (0.40) GPR52HTTATMALDH1A1
SCHEMBL4224567 0.72 GPR52 (0.49) OXTRAVPR1AGPR52PPARGPPARA
SCHEMBL4224856 0.70 GPR52 (0.55) OXTRAVPR1AGPR52HTTATM

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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A OXTR 236/4885AVPR1A 122/4885GPR52 67/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A OXTR 236/4885AVPR1A 122/4885GPR52 67/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A OXTR 186/4885AVPR1A 28/4885GPR52 75/4885

“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.