SCHEMBL12744964

SCHEMBL12744964

CC(C)N(C)CCSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 1/20 0.52
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
FDPS P14324 2/20 0.44
SLC6A4 P31645 1/20 0.44
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40
SERPINE1 P05121 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL17346305 0.81 DRD2 (0.50) ALDH1A1MAPK1MAOAMAOBFDPS
SCHEMBL8805319 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1MAOAMAOBFDPS
SCHEMBL5174350 0.79 ALDH1A1 (0.61) ALDH1A1MAPK1FDPSSLC6A4HTR7
SCHEMBL27010006 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1MAOAMAOBFDPS
SCHEMBL24316161 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1MAOAMAOBFDPS
SCHEMBL1540360 0.76 MAOA (0.46) ALDH1A1MAPK1MAOAMAOBSLC6A4
SCHEMBL1540363 0.76 MAOA (0.54) ALDH1A1MAPK1MAOAMAOBSLC6A4
SCHEMBL17346449 0.75 FDPS (0.47) ALDH1A1MAPK1MAOAMAOBFDPS
SCHEMBL11677124 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1MAOAMAOBFDPS
SCHEMBL26618228 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1MAOAMAOBFDPS

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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
WO-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 ALDH1A1 2267/4885MAPK1 3671/4885MAOA 271/4885
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE ARGLU1, ARG1, CNKSR1 ALDH1A1 280/4885MAPK1 284/4885MAOA 3775/4885

“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.