SCHEMBL2424092

SCHEMBL2424092

COc1ccc([NH])cc1OCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
HTR2C P28335 5/20 0.56
HTR2B P41595 3/20 0.56
HTR2A P28223 2/20 0.52
TSHR P16473 3/20 0.51
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.51
ADORA2A P29274 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC5A7 Q9GZV3 1/20 0.48
P2RY12 Q9H244 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL12409038 0.85 SYK (0.71) SYKHTR2CHTR2BHTR2ATSHR
SCHEMBL13791083 0.85 SYK (0.59) SYKHTR2CHTR2BHTR2ATSHR
SCHEMBL4573352 0.84 SYK (0.58) SYKHTR2CHTR2BHTR2ATSHR
SCHEMBL212928 0.84 HTR2C (0.59) SYKHTR2CHTR2BHTR2ATSHR
SCHEMBL13803105 0.82 SYK (0.55) SYKHTR2CHTR2BHTR2ATSHR
SCHEMBL4056455 0.82 ALDH1A1 (0.59) SYKHTR2CHTR2BHTR2ATSHR
SCHEMBL27317490 0.82 SMN1; SMN2 (0.57) SYKHTR2CHTR2BHTR2ATSHR
SCHEMBL5319656 0.81 KDM4E (0.70) SYKTSHRPOLBCYP2D6KDM4E
SCHEMBL11951009 0.81 SYK (0.54) SYKHTR2CHTR2BHTR2ATSHR
SCHEMBL19125158 0.81 SYK (0.54) SYKHTR2CHTR2BHTR2ATSHR

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-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 SYK 4519/4885HTR2C 98/4885HTR2B 29/4885

“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.