SCHEMBL3367528

SCHEMBL3367528

CC(N)(O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
SLC6A2 P23975 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALOX12 P18054 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
AOC3 Q16853 1/20 0.42

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
SCHEMBL451516 0.82 TAAR1 (0.60) TAAR1SLC6A2SMN1; SMN2NPC1RAB9A
SCHEMBL272368 0.82 TDP1 (0.48) TAAR1SLC6A2SMN1; SMN2NPC1RAB9A
SCHEMBL28681602 0.82 SMN1; SMN2 (0.48) TAAR1SLC6A2SMN1; SMN2NPC1RAB9A
SCHEMBL251220 0.82 TDP1 (0.48) TAAR1SLC6A2SMN1; SMN2NPC1RAB9A
SCHEMBL28112277 0.82 TDP1 (0.48) TAAR1SLC6A2SMN1; SMN2NPC1RAB9A
SCHEMBL21058237 0.82 TAAR1 (0.54) TAAR1SLC6A2SMN1; SMN2NPC1RAB9A
SCHEMBL24950143 0.82 TAAR1 (0.45) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
SCHEMBL4101648 0.80 TAAR1 (0.44) TAAR1SLC6A2SMN1; SMN2NPC1RAB9A
SCHEMBL7549612 0.80 NPC1 (0.44) TAAR1SLC6A2SMN1; SMN2NPC1RAB9A
SCHEMBL11853378 0.80 TDP1 (0.39) TAAR1NPC1RAB9ATDP1ALDH1A1

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
CN-106471120-A The method that anil is prepared from carbon source by fermentation method 国立研究开发法人科学技术振兴机构 2017-03-01 CN disclosed
CN-106471120-A The method that anil is prepared from carbon source by fermentation method 国立研究开发法人科学技术振兴机构 2017-03-01 CN disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 TAAR1 1355/4885SLC6A2 4716/4885SMN1; SMN2 4259/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK TAAR1 999/4885SLC6A2 4435/4885SMN1; SMN2 3976/4885

“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.