SCHEMBL1975445

SCHEMBL1975445

CNCCc1cn(C)c2ccc(F)c(Oc3cc(F)ccc3C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
SLC6A4 P31645 5/20 0.35
HTR2A P28223 4/20 0.35
KCNH2 Q12809 3/20 0.35
MPO P05164 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
ADRB2 P07550 1/20 0.34
SNCA P37840 1/20 0.33
BRD4 O60885 2/20 0.32
PTGER3 P43115 1/20 0.31
CNR1 P21554 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL1162935 0.86 SLC6A4 (0.38) NQO2MTNR1AMTNR1BSLC6A4HTR2A
SCHEMBL1163145 0.81 TAAR1 (0.42) NQO2MTNR1AMTNR1BSLC6A4HTR2A
SCHEMBL1163322 0.80 TAAR1 (0.44) NQO2MTNR1AMTNR1BSLC6A4HTR2A
SCHEMBL1163481 0.77 TAAR1 (0.40) NQO2MTNR1AMTNR1BHTR2ATAAR1
SCHEMBL1162934 0.77 TAAR1 (0.42) NQO2MTNR1AMTNR1BHTR2ATAAR1
SCHEMBL1163355 0.76 CARM1 (0.35) NQO2MTNR1AMTNR1BSLC6A4HTR2A
SCHEMBL1163043 0.75 TAAR1 (0.39) TAAR1SNCAMEN1KMT2A
SCHEMBL19650679 0.74 TAAR1 (0.40) SLC6A4SLC6A2SLC6A3TAAR1SNCA
SCHEMBL1163327 0.74 TAAR1 (0.50) SLC6A4HTR2ATAAR1ADRB2MEN1
SCHEMBL1163093 0.74 TAAR1 (0.43) NQO2MTNR1AMTNR1BSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT NQO2 228/4885MTNR1A 65/4885MTNR1B 36/4885

“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.