SCHEMBL20565124

SCHEMBL20565124

CCCCNc1cc(C)c(F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
TLR8 Q9NR97 2/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 1/20 0.38
F2R P25116 2/20 0.37
CYP1A2 P05177 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
SOS1 Q07889 1/20 0.35
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
AR P10275 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18830655 0.82 ADRA2A (0.41) ADRA2ATLR8ALDH1A1MAPTTDP1
SCHEMBL27893457 0.78 THRB (0.53) ADRA2ATLR8ALDH1A1MAPTTDP1
SCHEMBL10394666 0.78 ALDH1A1 (0.68) ALDH1A1MAPTTDP1L3MBTL1ABL1
SCHEMBL19035330 0.77 ADRA2A (0.39) ADRA2ATLR8ALDH1A1MAPTTDP1
SCHEMBL8746003 0.77 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1SOS1HTT
SCHEMBL20564038 0.76 MAPT (0.44) ADRA2ATLR8ALDH1A1MAPTTDP1
SCHEMBL19035336 0.76 MAPT (0.41) ADRA2ATLR8ALDH1A1MAPTTDP1
SCHEMBL3400985 0.75 ADRA2A (0.53) ADRA2AALDH1A1ABL1KCNH3TSHR
SCHEMBL26325050 0.75 ALDH1A1 (0.50) ALDH1A1MAPTABL1KCNH3HTT
SCHEMBL21872424 0.74 TLR8 (0.43) TLR8ALDH1A1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
WO-2018213572-A9 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-13 WO disclosed
WO-2018213572-A1 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-22 WO 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 ADRA2A 2424/4885TLR8 3085/4885ALDH1A1 1805/4885

“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.