SCHEMBL2985263

SCHEMBL2985263

COc1cc(C(N)CC#N)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.49
F2 P00734 2/20 0.47
F10 P00742 2/20 0.47
PRSS1 P07477 2/20 0.47
F7 P08709 2/20 0.47
PRSS2 P07478 1/20 0.47
F3 P13726 1/20 0.47
PRSS3 P35030 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 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
SCHEMBL2990812 0.84 PDE4A (0.52) RAB9ATSHRMAPTPDE4APDE4B
Hydrochloric Acid SCHEMBL5742387 0.84 NPC1 (0.50) NPC1RAB9ATSHRMAPTF2
Hydrochloric Acid SCHEMBL5742389 0.84 NPC1 (0.50) NPC1RAB9ATSHRMAPTF2
SCHEMBL2990289 0.83 ALDH1A1 (0.51) TSHRMAPTHPGDSMN1; SMN2MEN1
SCHEMBL6375554 0.81 NPC1 (0.52) NPC1RAB9AF2F10PRSS1
SCHEMBL30806026 0.81 NPC1 (0.52) NPC1RAB9AF2F10PRSS1
Hydrochloric Acid SCHEMBL8747244 0.80 NPC1 (0.51) NPC1RAB9AF2F10PRSS1
SCHEMBL2989926 0.80 KMT2A (0.62) NPC1RAB9AF2F10PRSS1
SCHEMBL3001947 0.80 F2 (0.47) NPC1RAB9AF2F10PRSS1
SCHEMBL7868991 0.80 NPC1 (0.51) NPC1RAB9ATSHRMAPTF2

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 NPC1 394/4885RAB9A 2314/4885TSHR 1213/4885

“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.