SCHEMBL4847281

SCHEMBL4847281

CN(C)CCc1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.56
ASIC3 Q9UHC3 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.56
ADRB2 P07550 1/20 0.56
AGXT P21549 1/20 0.51
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
ADRA1D P25100 2/20 0.43
NPY2R P49146 1/20 0.41
IDH1 O75874 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL14106983 0.83 CYP2A6 (0.60) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL6963172 0.81 CYP2A6 (0.60) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL7340276 0.81 CYP2A6 (0.60) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL4049448 0.81 CYP2A6 (0.60) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL6344125 0.80 CYP2A6 (0.51) CYP2A6ASIC3LOXL2ADRB2AGXT
Ammonia Solution, Strong SCHEMBL6237737 0.79 CYP2A6 (0.50) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL4843832 0.79 HDAC3 (0.41) CYP2A6ADRB2
SCHEMBL1445507 0.78 CYP2A6 (0.53) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL346786 0.78 CYP2A6 (0.56) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL7345698 0.78 CYP2A6 (0.56) CYP2A6ASIC3LOXL2ADRB2AGXT

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
CN-118055766-A Magic and non-magic serotonin receptor agonist and its preparing process and usage 库莱恩有限责任公司 2024-05-17 CN disclosed
US-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US disclosed
US-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US disclosed
WO-2006019497-A2 SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2006-02-23 WO disclosed
US-20060014797-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-01-19 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-20060014797-A1 Sleep inducing compounds and methods relating thereto CHRM1, CNR1, HRH3 CYP2A6 42/4885ASIC3 1630/4885LOXL2 1236/4885

“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.