SCHEMBL23768044

SCHEMBL23768044

CC[N+](CC)=C1C=CC2=Nc3ccc(N4CCOCC4)cc3[Si](c3ccccc3)(c3ccccc3)C2=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.34
TMEM97 Q5BJF2 3/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 1/20 0.34
MAPT P10636 4/20 0.32
DRD4 P21917 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PRKDC P78527 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL23767991 0.91 NPY5R (0.30)
SCHEMBL23767940 0.90 TMEM97 (0.33) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL23768073 0.90 PIK3CA (0.34) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL23767938 0.86 LMNA (0.31) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL23768024 0.85 LMNA (0.31) MAPTLMNASMN1; SMN2HPGD
SCHEMBL23767986 0.84 TDO2 (0.37) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL23768022 0.83 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL23768023 0.83 BRD4 (0.30) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL23767945 0.83
SCHEMBL23768179 0.81

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-20210252152-A1 NEAR-INFRARED (NIR) ABSORBING PHOTOSENSITIZERS ORTA DOGU TEKNIK UNIVERSITESI (TR) 2021-08-19 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-20210252152-A1 NEAR-INFRARED (NIR) ABSORBING PHOTOSENSITIZERS PPIF, MT-ND2, PPOX SIGMAR1 1848/4885TMEM97 2670/4885ADRA2A 4234/4885

“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.