SCHEMBL18935573

SCHEMBL18935573

N[C@H]1CC[C@H](n2ccc3cc(Br)ccc32)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 4/20 0.37
ROCK1 Q13464 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
SLC6A2 P23975 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31
KRAS P01116 1/20 0.31
KDM1A O60341 2/20 0.30
KDM1B Q8NB78 1/20 0.30
FABP4 P15090 1/20 0.30
DCK P27707 2/20 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
SCHEMBL18927023 1.00 HTR2A (0.38) HTR2AHTR2CHTR7ROCK1NOS3
SCHEMBL18918109 1.00 HTR2A (0.38) HTR2AHTR2CHTR7ROCK1NOS3
SCHEMBL18939739 0.80 HTR7 (0.49) HTR2AHTR2CHTR7ROCK1NOS3
SCHEMBL2264666 0.79 NOS3 (0.49) HTR2AHTR2CHTR7NOS3NOS1
SCHEMBL565845 0.79 GRM2 (0.42) HTR2AHTR2CHTR7ROCK1NOS3
SCHEMBL10064856 0.79 GRM2 (0.42) HTR2AHTR2CHTR7ROCK1NOS3
SCHEMBL10064858 0.79 GRM2 (0.42) HTR2AHTR2CHTR7ROCK1NOS3
SCHEMBL22439524 0.78 HTR7 (0.48) HTR2AHTR2CHTR7ROCK1NOS3
SCHEMBL2266129 0.76 DGAT1 (0.43) HTR2AHTR2CHTR7ROCK1SLC6A2
SCHEMBL31611387 0.75 HTR7 (0.36) HTR2AHTR2CHTR7ROCK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS HTR2A 4728/4885HTR2C 4644/4885HTR7 4509/4885

“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.