SCHEMBL21058237

SCHEMBL21058237

CC(N)(CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.54
SLC6A2 P23975 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2A P28223 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
AOC3 Q16853 3/20 0.45
MAOA P21397 4/20 0.44
MAOB P27338 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.43
KDM1A O60341 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL15901709 0.90 TAAR1 (0.45) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
SCHEMBL5981842 0.89 TAAR1 (0.48) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
SCHEMBL9466924 0.89 TAAR1 (0.48) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
SCHEMBL21058255 0.88 S1PR1 (0.48) TAAR1SLC6A2
SCHEMBL5428396 0.87 TAAR1 (0.47) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
SCHEMBL9183600 0.87 TAAR1 (0.47) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
SCHEMBL451516 0.86 TAAR1 (0.60) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
SCHEMBL21058239 0.85 S1PR1 (0.52)
Hydrochloric Acid SCHEMBL11164072 0.84 TAAR1 (0.58) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
Bromide SCHEMBL11038152 0.84 TAAR1 (0.58) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT TAAR1 72/4885SLC6A2 859/4885SMN1; SMN2 4609/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT TAAR1 86/4885SLC6A2 924/4885SMN1; SMN2 4615/4885

“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.