SCHEMBL13488455

SCHEMBL13488455

NCCc1c[nH]c2c1C=CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.35
HTR1D P28221 5/20 0.35
HTR2C P28335 5/20 0.35
MPO P05164 3/20 0.35
HTR1B P28222 3/20 0.35
HTR6 P50406 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
HTR7 P34969 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CYP2A6 P11509 1/20 0.35
NFKB1 P19838 1/20 0.35
CTSK P43235 1/20 0.35
CYP2A13 Q16696 1/20 0.35
PMP22 Q01453 1/20 0.34
HTR1A P08908 3/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 2/20 0.32
TRPM8 Q7Z2W7 3/20 0.32

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
SCHEMBL16622953 0.83 HTR2C (0.33) HTR2C
SCHEMBL14068308 0.81 HTR1A (0.30) HTR1A
SCHEMBL14532295 0.79
SCHEMBL13958209 0.75 CYP2D6 (0.37) HTR2AHTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL13958428 0.73 SCN9A (0.33)
SCHEMBL14300543 0.72 HTR2A (0.35) HTR2AHTR1DHTR2CMPOHTR1B
SCHEMBL23222815 0.69 CYP1A2 (0.31) CYP1A2CYP2D6PMP22
SCHEMBL1369026 0.66 HTR1D (0.43) HTR2AHTR1DHTR2CMPOHTR1B
SCHEMBL23615876 0.66 TAAR1 (0.38) HTR2AHTR1DHTR2CMPOHTR1B
SCHEMBL23222734 0.64 KDM4E (0.30) RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021086426-A1 D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2021-05-06 WO disclosed
US-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME THE UNIVERSITY OF CHICAGO 2010-02-11 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-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME ACACA, COASY, ACACB HTR2A 4748/4885HTR1D 4763/4885HTR2C 4768/4885

“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.