SCHEMBL3928151

SCHEMBL3928151

N=C(N)NCCc1cccc(O)c1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.42
MPO P05164 8/20 0.40
MEP1B Q16820 1/20 0.39
OPRM1 P35372 6/20 0.36
OPRK1 P41145 6/20 0.36
OPRD1 P41143 2/20 0.35
SLC6A4 P31645 1/20 0.35
MTNR1B P49286 2/20 0.35
NQO2 P16083 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
SCHEMBL21556903 0.83 IAPP (0.45) MTNR1AMPOMTNR1BNQO2
SCHEMBL3926227 0.83 MPO (0.55) MTNR1AMPOSLC6A4
Hydrochloric Acid SCHEMBL6997774 0.81 MPO (0.53) MTNR1AMPOSLC6A4
SCHEMBL3916714 0.78 TAAR1 (0.55) MTNR1AMPO
SCHEMBL30496749 0.78 TAAR1 (0.55) MTNR1AMPO
Hydrochloric Acid SCHEMBL28482472 0.77 TAAR1 (0.53) MTNR1AMPO
SCHEMBL14868503 0.72 IAPP (0.41) MTNR1AMPOMTNR1BNQO2
SCHEMBL10310457 0.71 TAAR1 (0.50) MTNR1AMTNR1B
SCHEMBL30496716 0.71 TAAR1 (0.50) MTNR1AMTNR1B
SCHEMBL10310269 0.71 TAAR1 (0.55) MTNR1ASLC6A4

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-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 US claimed
US-10259781-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-16 US disclosed
US-20170190658-A1 IMAGING AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-07-06 US disclosed
US-20150246142-A1 IMAGING AGENTS UNIV MICHIGAN (US) 2015-09-03 US disclosed
US-7534418-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-19 US disclosed
US-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 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 (4 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-20150246142-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 MTNR1A 401/4885MPO 2156/4885MEP1B 324/4885
US-20060127309-A1 Imaging agents MPI, NPC1, NPC1L1 MTNR1A 689/4885MPO 1947/4885MEP1B 1511/4885
US-10259781-B2 Imaging agents SLC18A1, VHL, GDI1 MTNR1A 401/4885MPO 2156/4885MEP1B 324/4885
US-20170190658-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 MTNR1A 401/4885MPO 2156/4885MEP1B 324/4885

“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.