SCHEMBL25889397

SCHEMBL25889397

CC(C)c1ncc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 10/20 0.49
SIGMAR1 Q99720 10/20 0.49
HRH1 P35367 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
HRH2 P25021 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1E P28566 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR2B P41595 1/20 0.49
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL31703372 0.93 TMEM97 (0.48) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL23296608 0.91 TMEM97 (0.47) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL23296610 0.91 TMEM97 (0.47) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL31703435 0.85 TMEM97 (0.49) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL26985602 0.83 TMEM97 (0.47) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL31228353 0.83 TMEM97 (0.47) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL25889395 0.82 NR1H2 (0.51) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL25776878 0.81 HDAC3 (0.51) HDAC1HDAC3HDAC2HDAC6MEN1
SCHEMBL31133626 0.80 TMEM97 (0.44) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL31133683 0.78 TMEM97 (0.42) TMEM97SIGMAR1HRH1HRH3HTR1A

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-20230374035-A1 RAS INHIBITORS Revolution Medicines, Inc. 2023-11-23 US disclosed
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS TMEM97 3611/4885SIGMAR1 4597/4885HRH1 2865/4885
US-20230234929-A1 RAS INHIBITORS KRAS, NRAS, HRAS TMEM97 3495/4885SIGMAR1 4606/4885HRH1 2949/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR TMEM97 2438/4885SIGMAR1 3617/4885HRH1 3515/4885
US-20230374035-A1 RAS INHIBITORS KRAS, NRAS, HRAS TMEM97 3495/4885SIGMAR1 4606/4885HRH1 2949/4885

“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.