SCHEMBL4333079

SCHEMBL4333079

O[C@@H](CNCCc1ccccc1)CN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.59
CCR3 P51677 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCB1 P08183 5/20 0.48
TSHR P16473 2/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
CYP2D6 P10635 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC6A3 Q01959 1/20 0.47
KIF11 P52732 1/20 0.47
LMNA P02545 1/20 0.47
ADRB2 P07550 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4338287 1.00 SIGMAR1 (0.59) SIGMAR1CCR3KDM4EABCB1TSHR
SCHEMBL8612921 0.85 MEN1 (0.58) CCR3MEN1KMT2A
SCHEMBL24322660 0.85 MEN1 (0.58) CCR3MEN1KMT2A
Hydrochloric Acid SCHEMBL5551352 0.85 RAD52 (0.49) SIGMAR1CCR3KDM4ECARM1PRMT6
SCHEMBL10600089 0.78 ABCB1 (0.62) SIGMAR1KDM4EABCB1TSHRRAB9A
SCHEMBL5556114 0.78 MEN1 (0.44) SIGMAR1CCR3KDM4EABCB1CARM1
SCHEMBL8611936 0.77 SLC6A3 (0.58) SIGMAR1TSHRRAB9ACYP2D6HIF1A
SCHEMBL6203931 0.76 SIGMAR1 (0.72) SIGMAR1RAB9ASLC6A3
SCHEMBL6174349 0.76 SLC6A4 (0.60) KDM4ETSHRRAB9AHSD17B10CYP2D6
SCHEMBL5967992 0.74 TSHR (0.59) KDM4ETSHRRAB9AHSD17B10CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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 (2 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 SIGMAR1 113/4885CCR3 458/4885KDM4E 4069/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF SIGMAR1 163/4885CCR3 626/4885KDM4E 4122/4885

“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.