SCHEMBL23696359

SCHEMBL23696359

COc1ccc(CCN2CCC(c3nccn3Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.52
TACR2 P21452 2/20 0.52
TACR1 P25103 2/20 0.52
EED O75530 2/20 0.52
HTR1A P08908 2/20 0.52
SLC6A4 P31645 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
MEN1 O00255 1/20 0.52
MLNR O43193 1/20 0.52
CACNA1F O60840 1/20 0.52
USP2 O75604 1/20 0.52
ABCB11 O95342 1/20 0.52
EGFR P00533 1/20 0.52
LMNA P02545 1/20 0.52
HLA-A P04439 1/20 0.52
ERBB2 P04626 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
LCK P06239 1/20 0.52

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
SCHEMBL23696363 0.83 KCNH2 (0.64) HRH1TACR2TACR1EEDHTR1A
SCHEMBL23696978 0.81 SIGMAR1 (0.53) HRH1TACR2TACR1EEDHTR1A
SCHEMBL9762644 0.81 KCNH2 (0.45) HRH1SIGMAR1CYP2D6CHRM1KCNH2
SCHEMBL31582821 0.76 HRH1 (0.53) HRH1TACR2TACR1EEDHTR1A
SCHEMBL31583414 0.73 HTR1A (0.48) HRH1TACR2TACR1EEDHTR1A
SCHEMBL23696364 0.73 MAOB (0.46) KCNH2
SCHEMBL2157601 0.73 KCNH2 (0.61) HTR1ASLC6A4KCNH2
SCHEMBL9537962 0.72 HTR1A (0.57) HRH1TACR2TACR1EEDHTR1A
SCHEMBL2157291 0.71 SIGMAR1 (0.69) SIGMAR1HRH3USP2ADRA1DADRA1A
SCHEMBL5871773 0.71 KCNH2 (0.62) HRH1TACR2TACR1EEDHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667666-B2 Methods and compositions for treatment of cancer CFD RESEARCH CORPORATION (US) 2023-06-06 US disclosed
US-11667666-B2 Methods and compositions for treatment of cancer CFD RESEARCH CORPORATION (US) 2023-06-06 US disclosed
US-20210230212-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER CFD RESEARCH CORPORATION 2021-07-29 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 (2 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-11667666-B2 Methods and compositions for treatment of cancer TEK, VHL, TIE1 HRH1 4358/4885TACR2 3036/4885TACR1 2225/4885
US-20210230212-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER TEK, VHL, TIE1 HRH1 4358/4885TACR2 3036/4885TACR1 2225/4885

“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.