SCHEMBL3520940

SCHEMBL3520940

CC1(C)CCCOc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
HTT P42858 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
ACACB O00763 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
SCHEMBL2632863 0.88 ITGB2 (0.46) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL7031384 0.81 ITGB2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL4387518 0.80 ADORA3 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL23715096 0.77 ALDH1A1 (0.41) SMN1; SMN2HTTRARARARBRARG
SCHEMBL321566 0.75 NOTUM (0.42) ITGB2ICAM1ITGALABCG2RARA
SCHEMBL10599290 0.75 ITGB2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL12691756 0.75 AKR1B1 (0.51) RARARARBRARG
SCHEMBL15023284 0.75 LMNA (0.43) LMNAHTTRARARARBRARG
SCHEMBL24162776 0.74 ITGB2 (0.44) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL17729317 0.73 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
EP-1959959-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-27 EP disclosed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 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-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists PROKR2, PROKR1, NTSR2 ITGB2 3649/4885ICAM1 4267/4885ITGAL 3531/4885

“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.