SCHEMBL12596196

SCHEMBL12596196

CCc1cn(C)c2ccc(F)c(OC)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.38
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
NQO2 P16083 2/20 0.35
HTR6 P50406 1/20 0.34
MEP1B Q16820 1/20 0.33
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
KCNH2 Q12809 1/20 0.31
HTR2B P41595 3/20 0.31
GPR84 Q9NQS5 1/20 0.31
SPR P35270 1/20 0.30

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
SCHEMBL1162983 0.84 ADRB2 (0.39) ADRB2MTNR1AMTNR1BNQO2HTR6
SCHEMBL18540667 0.82 GPR84 (0.35) ADRB2HTR6HTR2AHTR2CMEN1
SCHEMBL13592835 0.81 HTR6 (0.53) ADRB2HTR6HTR2AHTR2CHTR1A
Hydrochloric Acid SCHEMBL3790913 0.80 HTR6 (0.52) ADRB2HTR6HTR2AHTR2CHTR1A
SCHEMBL16286333 0.79 HRH3 (0.45) ADRB2HTR6HTR2AHTR2CHTR1A
SCHEMBL1163641 0.76 SLC6A4 (0.40) ADRB2HTR6HTR2AHTR2CHTR1A
SCHEMBL1163045 0.76 ADRB2 (0.43) ADRB2MTNR1AMTNR1BNQO2HTR2A
SCHEMBL1163108 0.75 ADRB2 (0.45) ADRB2HTR2AMEN1KMT2A
SCHEMBL1163095 0.74 AKR1C3 (0.36) MTNR1AMTNR1BNQO2MEN1KMT2A
SCHEMBL12559305 0.74 SMN1; SMN2 (0.52) MEN1KMT2A

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 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 (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 ADRB2 613/4885MTNR1A 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.