SCHEMBL2987998

SCHEMBL2987998

CCN(CC)C(=O)CC(N)c1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
F2 P00734 2/20 0.49
F10 P00742 2/20 0.49
PRSS1 P07477 2/20 0.49
F7 P08709 2/20 0.49
PRSS2 P07478 1/20 0.49
F3 P13726 1/20 0.49
PRSS3 P35030 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CTSV O60911 1/20 0.45

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
SCHEMBL2994376 0.89 APP (0.54) APPSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2989926 0.86 KMT2A (0.62) APPSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2997847 0.86 F2 (0.48) APPSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2998414 0.85 F2 (0.56) APPSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2997643 0.84 F2 (0.55) APPSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2985384 0.83 MTNR1A (0.53) APPSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2992009 0.83 F2 (0.54) APPSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2995618 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1HPGDRAB9AF2
SCHEMBL2997844 0.81 F2 (0.55) SMN1; SMN2NPC1HPGDRAB9AF2
SCHEMBL2990764 0.80 SMPD1 (0.55) SMN1; SMN2NPC1HPGDRAB9AF2

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
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 APP 3648/4885SMN1; SMN2 2069/4885NPC1 394/4885

“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.