SCHEMBL14280400

SCHEMBL14280400

C[C@H](N)CN1CCc2ccc3c(c21)COCO3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.71
HTR2B P41595 12/20 0.71
HTR2A P28223 11/20 0.71
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GFER P55789 1/20 0.37
TAAR1 Q96RJ0 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR1A P08908 1/20 0.33
F2 P00734 1/20 0.32
F9 P00740 1/20 0.32
F10 P00742 1/20 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
SCHEMBL6328136 0.83 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP3A4
SCHEMBL905999 0.83 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP3A4
SCHEMBL4829208 0.81 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP3A4
SCHEMBL4830519 0.75 HTR2A (0.72) HTR2CHTR2BHTR2ACYP1A2CYP3A4
Fumaric Acid SCHEMBL4824843 0.75 HTR2A (0.80) HTR2CHTR2BHTR2ACYP1A2CYP3A4
Fumaric Acid SCHEMBL4824850 0.75 HTR2A (0.80) HTR2CHTR2BHTR2ACYP1A2CYP3A4
SCHEMBL6198125 0.74 HTR2C (0.67) HTR2CHTR2BHTR2ACYP1A2CYP3A4
SCHEMBL14184489 0.74 HTR2A (0.67) HTR2CHTR2BHTR2ACYP1A2CYP3A4
Fumaric Acid SCHEMBL4822638 0.73 HTR2C (0.81) HTR2CHTR2BHTR2ACYP1A2CYP3A4
Fumaric Acid SCHEMBL4822644 0.73 HTR2C (0.81) HTR2CHTR2BHTR2ACYP1A2CYP3A4

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-7323486-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2008-01-29 US disclosed
US-7323486-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2008-01-29 US disclosed
US-20070099980-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-03 US disclosed
US-20070099980-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-03 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-20070099980-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR2C 1/4885HTR2B 6/4885HTR2A 2/4885

“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.