SCHEMBL4871817

SCHEMBL4871817

O=[C]c1ccccc1C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.55
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 6/20 0.47
SLC6A3 Q01959 6/20 0.47
HTR1A P08908 5/20 0.47
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ADRB2 P07550 1/20 0.45
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL2045879 0.86 RBP4 (0.37) HTR2C
SCHEMBL1513147 0.81 HTR2C (0.55) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5075574 0.81 PTGDR2 (0.46)
Hydrochloric Acid SCHEMBL4739383 0.80 HTR2C (0.56) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL30493303 0.80 HTR2C (0.72) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12981278 0.77 HTR2C (0.50) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL20139888 0.76 HTR2C (0.49) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL614050 0.75 HTR2C (0.60) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL28086725 0.74 HTR2C (0.59) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Trifluoroacetic Acid SCHEMBL30409897 0.74 KDM1A (0.56) HTR2CSLC6A2SLC6A4SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070868-A1 Novel Thiazole Inhibitors of Fructose 1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-20070225259-A1 Novel Thiazole Inhibitors of Fructose 1,6-Bishosphatase METABASIS THERAPEUTICS, INC. 2007-09-27 US claimed
US-20080070868-A1 Novel Thiazole Inhibitors of Fructose 1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
US-20070225259-A1 Novel Thiazole Inhibitors of Fructose 1,6-Bishosphatase METABASIS THERAPEUTICS, INC. 2007-09-27 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-20070225259-A1 Novel Thiazole Inhibitors of Fructose 1,6-Bishosphatase FBP1, PFKFB1, ALDOA HTR2C 3349/4885SLC6A2 1835/4885SLC6A4 881/4885
US-20080070868-A1 Novel Thiazole Inhibitors of Fructose 1,6-bisphosphatase FBP1, ALDOA, SLC5A1 HTR2C 3859/4885SLC6A2 1804/4885SLC6A4 1045/4885

“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.