SCHEMBL3852445

SCHEMBL3852445

O=C=NC1CCCOc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 4/20 0.32
DPP4 P27487 1/20 0.32
TERT O14746 1/20 0.31
GAA P10253 1/20 0.31
SSTR4 P31391 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL28568250 0.75 ALDH1A1 (0.34)
SCHEMBL3318970 0.72 IDO1 (0.45) LMNAHTT
SCHEMBL1148722 0.72 IDO1 (0.45) LMNAHTT
SCHEMBL29795931 0.72 IDO1 (0.45) LMNAHTT
SCHEMBL6505464 0.71
SCHEMBL7784019 0.69 MAP3K14 (0.46) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL17086645 0.69 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL1265933 0.69 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL19494124 0.69 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL16224873 0.69 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 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-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION CCR1, CCR4, CCR3 ITGB2 4415/4885ICAM1 293/4885ITGAL 4486/4885

“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.