SCHEMBL18978690

SCHEMBL18978690

CCC(C)Cc1c[nH]c2ccc(C)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.56
HTR1D P28221 4/20 0.56
HTR2C P28335 4/20 0.49
HTR1A P08908 3/20 0.49
HTR2B P41595 3/20 0.49
HTR1B P28222 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL25913471 0.86 HTR2A (0.63) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL19067627 0.85 HTR2A (0.61) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL19068711 0.83 HTR2A (0.72) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL699380 0.83 HTR2A (0.58) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL30811419 0.83 HTR2A (0.70) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL24913231 0.83 HTR2A (0.70) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL1120488 0.83 HTR2A (0.70) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL15701891 0.80 HTR2A (0.55) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL26054201 0.80 HTR2A (0.55) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL7651463 0.80 HTR1D (0.67) HTR2AHTR1DHTR2CHTR1AHTR2B

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
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-08 US disclosed
US-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-06-15 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-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 HTR2A 3019/4885HTR1D 3373/4885HTR2C 4481/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 HTR2A 3019/4885HTR1D 3373/4885HTR2C 4481/4885

“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.