SCHEMBL4780222

SCHEMBL4780222

CCN(CC)CCCn1c2ccccc2c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.72
SLC6A2 P23975 1/20 0.72
HRH1 P35367 1/20 0.72
ABCB1 P08183 2/20 0.58
CYP2D6 P10635 1/20 0.54
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
RAD52 P43351 1/20 0.52
RAB9A P51151 1/20 0.52
SMARCA2 P51531 1/20 0.52
TSHR P16473 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
HIF1A Q16665 1/20 0.51
SMPD1 P17405 3/20 0.50
PGR P06401 1/20 0.50
RORA P35398 1/20 0.50
RORC P51449 1/20 0.50
RORB Q92753 1/20 0.50

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
SCHEMBL13305190 0.95 SLC6A4 (0.80) SLC6A4SLC6A2HRH1ABCB1CYP2D6
SCHEMBL13438396 0.90 SLC6A4 (0.89) SLC6A4SLC6A2HRH1ABCB1NPC1
SCHEMBL2334457 0.89 POLB (0.63) SLC6A4SLC6A2HRH1ABCB1NPC1
SCHEMBL10705834 0.85 SLC6A4 (0.97) SLC6A4SLC6A2HRH1ABCB1NPC1
SCHEMBL13438391 0.84 SLC6A4 (1.00) SLC6A4SLC6A2HRH1ABCB1NPC1
SCHEMBL13438395 0.84 SLC6A4 (1.00) SLC6A4SLC6A2HRH1ABCB1NPC1
SCHEMBL10704523 0.84 SLC6A4 (1.00) SLC6A4SLC6A2HRH1ABCB1NPC1
SCHEMBL15848971 0.84 CYP2D6 (0.60) SLC6A4SLC6A2HRH1CYP2D6SMPD1
SCHEMBL4727522 0.83 SLC6A4 (0.56) SLC6A4SLC6A2HRH1ABCB1HIF1A
SCHEMBL541688 0.81 CYP2D6 (0.74) SLC6A4SLC6A2HRH1CYP2D6SMPD1

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
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO 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-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 SLC6A4 2770/4885SLC6A2 2909/4885HRH1 362/4885

“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.