SCHEMBL3545618

SCHEMBL3545618

CC1(C)NCCN(CCN2CCOCC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
CNR1 P21554 1/20 0.41
CYP2D6 P10635 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 1/20 0.40
DAO P14920 1/20 0.40
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CACNA1H O95180 1/20 0.36
GLA P06280 1/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.34
KEAP1 Q14145 1/20 0.34
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3546635 0.76 CACNA1H (0.39) POLBALDH1A1CACNA1HKDM4EGAA
SCHEMBL26098509 0.75 DAO (0.46) POLBUSP2ALOX15DAOACHE
SCHEMBL3546210 0.73 CACNA1H (0.37) DAOALDH1A1CACNA1HKDM4E
SCHEMBL23409941 0.71 DAO (0.42) TSHRPOLBUSP2ALOX15CNR1
SCHEMBL20522972 0.70 DAO (0.41) POLBALOX15CNR1DAOACHE
SCHEMBL30010265 0.69 DAO (0.44) POLBUSP2ALOX15CNR1DAO
SCHEMBL30118411 0.69 SMN1; SMN2 (0.38) POLBUSP2ALOX15CYP2D6KCNH2
SCHEMBL4518289 0.69 HRH3 (0.41) POLBDAOACHESMN1; SMN2ALDH1A1
SCHEMBL5072452 0.67 HTR2A (0.40) TSHRPOLBUSP2ALOX15CNR1
SCHEMBL2912108 0.67 CRBN (0.36) POLBALDH1A1CACNA1HKDM4EHPGD

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-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 TSHR 4518/4885POLB 2339/4885USP2 285/4885

“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.